SCHEMBL9819003

SCHEMBL9819003

ClC(CCc1ccccc1)C(Cl)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.52
CYP2A6 P11509 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
MAOB P27338 4/20 0.48
MAOA P21397 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
ANPEP P15144 2/20 0.45
ERAP1 Q9NZ08 2/20 0.45
ERAP2 Q6P179 1/20 0.45
ACP3 P15309 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL6225698 0.86 KDM4E (0.46) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL29187623 0.84 ALDH1A1 (0.48) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL4237177 0.84 ALDH1A1 (0.48) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL2239690 0.80 MEN1 (0.49) SMN1; SMN2ALDH1A1HPGDALOX15ALOX12
SCHEMBL21582183 0.80 ALDH1A1 (0.44) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL6903932 0.80 TDP1 (0.48) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL8378873 0.80 TDP1 (0.48) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL4377949 0.80 ANPEP (0.52) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL3791903 0.80 TDP1 (0.48) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL8159215 0.80 ALDH1A1 (0.50) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0336216-B1 PROCESS FOR THE PREPARATION OF MONOCARBOXYLIC ACID ANHYDRIDES HOECHST AKTIENGESELLSCHAFT (DE) 1991-12-27 EP disclosed
EP-0336215-B1 SUPPORTED CATALYST FOR THE PREPARATION OF ANHYDRIDES OF MONOCARBOXYLIC ACIDS HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-15 EP disclosed
US-4959498-A Process for the preparation of monocarboxylic anhydrides HOECHST AKTIENGESELLSCHAFT (DE) 1990-09-25 US disclosed
EP-0336215-A1 Supported catalyst for the preparation of anhydrides of monocarboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-11 EP disclosed
EP-0336216-A1 Process for the preparation of monocarboxylic acid anhydrides HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-11 EP disclosed