SCHEMBL4666102

SCHEMBL4666102

N#CCc1ccccc1-c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.56
MMP3 P08254 3/20 0.50
ABL1 P00519 2/20 0.47
ABCB1 P08183 2/20 0.47
BCR P11274 2/20 0.47
ESR1 P03372 5/20 0.45
BCL2L1 Q07817 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
BACE1 P56817 1/20 0.40
DPP4 P27487 1/20 0.39
PIM1 P11309 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL1343377 0.84 DPP4 (0.56) BCL2L1ALDH1A1HPGDDPP4KMT2A
SCHEMBL29842617 0.82 TNF (0.47) ESR2MMP3ABCB1ALDH1A1HPGD
SCHEMBL29019013 0.82 TNF (0.47) ESR2MMP3ABCB1ALDH1A1HPGD
SCHEMBL554701 0.81 CYP2C19 (0.45) ALDH1A1HPGDDPP4KMT2AMEN1
SCHEMBL7013171 0.81 HTR7 (0.42) ESR2ALDH1A1HPGDDPP4KMT2A
SCHEMBL8046052 0.81 PTGS2 (0.41) ALDH1A1HPGDDPP4ADORA1
SCHEMBL28393638 0.80 ALOX5 (0.53) ESR2MMP3ABL1ABCB1BCR
SCHEMBL28638330 0.79 ABL1 (0.54) ESR2MMP3ABL1ABCB1BCR
SCHEMBL3628757 0.79 ABL1 (0.54) ESR2MMP3ABL1ABCB1BCR
SCHEMBL3556748 0.79 FOLH1 (0.54) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1193250-B1 PHENYL SULFAMATE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2008-06-04 EP disclosed
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed