SCHEMBL7986133

SCHEMBL7986133

N=C(NC(=O)OCOC(=O)c1ccccc1)c1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 2/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL7989211 0.87 ADRB2 (0.40) ALDH1A1KMT2ALMNAADRB2ADRB1
SCHEMBL7992452 0.85 LMNA (0.45) ALDH1A1TDP1KMT2AMAPK1LMNA
SCHEMBL7985722 0.84 ALDH1A1 (0.38) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL7988294 0.83 LMNA (0.37) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL7989368 0.83 ALDH1A1 (0.37) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL7988757 0.82 TDP1 (0.33) ALDH1A1TDP1
SCHEMBL7988238 0.81 TSHR (0.36) ALDH1A1TDP1KMT2AMAPK1HIF1A
SCHEMBL7986556 0.81 LMNA (0.46) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL7993433 0.81 HTT (0.32) ALDH1A1KMT2AHIF1ASMN1; SMN2HPGD
SCHEMBL7992377 0.78 ALDH1A1 (0.33) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed