SCHEMBL4998470

SCHEMBL4998470

O=C(Cc1ccccc1)N1C(=O)C2C=CC1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 2/20 0.40
TACR3 P29371 1/20 0.40
POLB P06746 1/20 0.40
HSD11B1 P28845 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKR1B1 P15121 1/20 0.38
EP300 Q09472 1/20 0.38
CARM1 Q86X55 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23548374 0.76 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1L3MBTL1TDP1
SCHEMBL23548373 0.76 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1L3MBTL1TDP1
SCHEMBL34469032 0.72 EHMT2 (0.50) SMN1; SMN2ALDH1A1EP300USP2TSHR
SCHEMBL22518781 0.72 EHMT2 (0.50) SMN1; SMN2ALDH1A1EP300USP2TSHR
SCHEMBL22493942 0.72 EHMT2 (0.50) SMN1; SMN2ALDH1A1EP300USP2TSHR
SCHEMBL23706931 0.67 ALDH1A1 (0.36) SMN1; SMN2GAAALDH1A1HPGDKDM4E
SCHEMBL6535540 0.66 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1L3MBTL1GLAHPGD
SCHEMBL10755518 0.66 L3MBTL1 (0.50) ALDH1A1L3MBTL1GLAHPGDKDM4E
SCHEMBL19798468 0.65 ALDH1A1 (0.57) ALDH1A1L3MBTL1GLAHPGDKDM4E
SCHEMBL10722408 0.64 HSD11B1 (0.77) SMN1; SMN2GAAALDH1A1L3MBTL1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405065-B2 Such as 1S,4R)-1-amino-4-(hydroxymethyl)-2-cyclopentene via N-acetylamino-alcohol hydrolase isolated from Rhodococcus, Gordona, Arthrobacter, Alcaligenes, Agrobacterium/Rhizobium, Bacillus, Pseudomonas or Alcaligenes/Bordetella LONZA AG (CH) 2008-07-29 US disclosed
EP-1502914-A1 Process for the preparation of 1-amino-4-(hydroxymethyl)-2-cyclopentene derivatives Lonza AG (CH) 2005-02-02 EP disclosed
US-20040265985-A1 Such as 1S,4R)-1-amino-4-(hydroxymethyl)-2-cyclopentene via N-acetylamino-alcohol hydrolase isolated from Rhodococcus, Gordona, Arthrobacter, Alcaligenes, Agrobacterium/Rhizobium, Bacillus, Pseudomonas or Alcaligenes/Bordetella BERNEGGER-EGLI CHRISTINE (CH) 2004-12-30 US disclosed
EP-0904348-B1 PROCESS FOR THE PREPARATION OF AMINO ALCOHOLS AND DERIVATIVES THEREOF LONZA AG (CH) 2004-11-24 EP disclosed
US-6787347-B2 MICROORGANISMS FOR USE IN THE GENERATION OF PREFERENTIAL CYCLOPENTENE LONZA AG (CH) 2004-09-07 US disclosed
EP-0878548-B1 Multistep process for the preparation of (1S,4R)- and/or (1R,4S)-4-(2-Amino-6-Chlor-9-H-purin-9-yl)-2-cyclopentene-1-methanol LONZA AG (CH) 2004-09-01 EP disclosed
US-20030008360-A1 Microorganisms for use in the generation of preferential cyclopentene BERNEGGER-EGLI CHRISTINE (CH) 2003-01-09 US disclosed
US-6368850-B1 PREPARING 1-AMINO-4-(HYDROXYMETHYL)-2-CYCLOPENTENE AND N-ACETYLAMINO-ALCOHOL HYDROLASE ACTIVITY OBTAINABLE FROM THESE MICROORGANISMS. LONZA AG (CH) 2002-04-09 US disclosed
US-6262295-B1 REACTING CYCLOPENTENE-4-CARBOXYLIC ACID WITH AN ACYL HALIDE LONZA A.G. (CH) 2001-07-17 US disclosed
US-6252112-B1 MIBCROBIAL HYDROLYSIS OF THE TITLE COMPOUND DERIVATIVE USING ENZYME HAVING N-ACETYLAMINO-ALCOHOL HYDROLASE OR PENICILLIN G ACYLASE ACTIVITY WITH SUBSEQUENT ACYLATION LONZA A.G., (CH) 2001-06-26 US disclosed
US-6156893-A Process for the preparation of (1S,4R)- or (1R,4S)- 4-(2-amino-6-chloro-9H-purin-9-yl)-2-cyclopentene-1-methanol LONZA A.G. (CH) 2000-12-05 US disclosed
US-6137007-A CHEMICAL INTERMEDIATES FOR NUCLEOSIDE, 4-2-(AMINO-6-CHLORO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL, WHICH IS AN INTERMEDIATE FOR 6-(CYCLOPROPYLAMINO)-DERIVATIVE LONZA AG (CH) 2000-10-24 US disclosed
EP-0904348-A1 PROCESS FOR THE PREPARATION OF AMINO ALCOHOLS AND DERIVATIVES THEREOF LONZA AG (CH) 1999-03-31 EP disclosed
EP-0878548-A2 Multistep process for the preparation of (1S,4R)- and/or (1R,4S)-4-(2-Amino-6-Chlor-9-H-purin-9-yl)-2-cyclopentene-1-methanol LONZA AG (CH) 1998-11-18 EP disclosed
WO-1997045529-A1 PROCESS FOR THE PREPARATION OF AMINO ALCOHOLS AND DERIVATIVES THEREOF LONZA AG (CH) 1997-12-04 WO disclosed