SCHEMBL7794439

SCHEMBL7794439

Oc1[c]ccc(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
ACMSD Q8TDX5 3/20 0.47
HNF4A P41235 2/20 0.47
DHFR P00374 1/20 0.47
MCL1 Q07820 1/20 0.47
MMP3 P08254 1/20 0.46
BCL2L1 Q07817 1/20 0.46
ESR2 Q92731 3/20 0.45
ESR1 P03372 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
HSP90AA1 P07900 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL3990520 0.98 ALOX5 (0.46) ALOX5ACMSDHNF4ADHFRMCL1
SCHEMBL8102074 0.84 ESR1 (0.50) ALOX5MMP3BCL2L1ESR2ESR1
SCHEMBL9536490 0.82 ESR1 (0.57) ALOX5ACMSDESR2ESR1ALDH1A1
SCHEMBL6824955 0.81 HSD17B1 (0.58) ESR2ESR1ALDH1A1LMNAHSD17B10
SCHEMBL27991555 0.81 ALOX5 (0.52) ALOX5ESR2KMT2AALDH1A1LMNA
SCHEMBL2341383 0.76 MMP3 (0.56) ALOX5ACMSDHNF4ADHFRMCL1
SCHEMBL8938017 0.76 ALOX5 (0.41) ALOX5ACMSDHNF4ADHFRMCL1
SCHEMBL2504321 0.75 HPGD (0.50) ALOX5BCL2L1ESR2MEN1KMT2A
SCHEMBL15067523 0.75 ALDH1A1 (0.45) ALOX5ACMSDHNF4ADHFRMCL1
SCHEMBL29056142 0.74 ALDH1A1 (0.46) ALOX5ACMSDHNF4ADHFRMCL1

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
EP-1163051-A1 CATALYST COMPRISING A METAL COMPLEX OF THE VIII SUBGROUP BASED ON A PHOSPHINE AMIDITE LIGAND AND ITS UTILIZATION FOR HYDROFORMYLATION AND HYDROCYANATION BASF AKTIENGESELLSCHAFT (DE) 2001-12-19 EP disclosed
WO-2000056451-A1 CATALYST COMPRISING A METAL COMPLEX OF THE VIII SUBGROUP BASED ON A PHOSPHINE AMIDITE LIGAND AND ITS UTILIZATION FOR HYDROFORMYLATION AND HYDROCYANATION BASF AKTIENGESELLSCHAFT (DE) 2000-09-28 WO disclosed