SCHEMBL7428528

SCHEMBL7428528

OCc1n[nH]cc1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.46
BCL2L1 Q07817 1/20 0.46
ALOX5 P09917 1/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MET P08581 1/20 0.38
CALM1 P0DP23 1/20 0.38
PARP1 P09874 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
SCHEMBL27629487 0.87 PARP1 (0.43) BCL2BCL2L1MEN1KMT2ACYP3A4
SCHEMBL5775272 0.86 PARP1 (0.44) BCL2BCL2L1TSHRMEN1KMT2A
SCHEMBL22290169 0.83 MAPT (0.40) MEN1KMT2AHCAR2PARP1
SCHEMBL29339712 0.82 TP53 (0.40) BCL2BCL2L1TSHRMEN1KMT2A
SCHEMBL7421266 0.82 ALDH1A1 (0.40) BCL2BCL2L1TSHRMEN1KMT2A
SCHEMBL4857853 0.81 BCL2 (0.48) BCL2BCL2L1ALOX5MEN1KMT2A
SCHEMBL7458172 0.78 PARP1 (0.45) BCL2BCL2L1ALOX5MEN1KMT2A
SCHEMBL22083543 0.74 DAO (0.43) BCL2BCL2L1TSHRMEN1KMT2A
SCHEMBL16148679 0.74 TYMP (0.42) BCL2BCL2L1ALOX5MEN1KMT2A
SCHEMBL3501919 0.74 MPO (0.44) MEN1KMT2ACYP3A4METCALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed