SCHEMBL7352579

SCHEMBL7352579

O=C(O)C(Cc1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
HRH4 Q9H3N8 1/20 0.64
CTNNB1 P35222 1/20 0.56
CPA1 P15085 4/20 0.53
CPA3 P15088 3/20 0.53
FOLH1 Q04609 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CPB1 P15086 1/20 0.53
CPB2 Q96IY4 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PPARG P37231 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49

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
SCHEMBL6677809 0.93 CTNNB1 (0.63) CYP1A2HRH4CTNNB1CPA1TDP1
SCHEMBL7382900 0.88 HRH4 (0.57) CYP1A2HRH4CTNNB1CPA1CPA3
SCHEMBL3814684 0.87 CTNNB1 (0.56) CYP1A2HRH4CTNNB1CPA1TDP1
SCHEMBL10770069 0.86 HRH4 (0.51) CYP1A2HRH4CTNNB1KMT2A
SCHEMBL10770073 0.86 HRH4 (0.51) CYP1A2HRH4CTNNB1KMT2A
SCHEMBL7268294 0.85 CTNNB1 (0.58) CYP1A2HRH4CTNNB1CPA1TDP1
SCHEMBL7287691 0.85 CTNNB1 (0.58) CYP1A2HRH4CTNNB1CPA1TDP1
SCHEMBL7267021 0.85 CTNNB1 (0.58) CYP1A2HRH4CTNNB1CPA1TDP1
SCHEMBL6444456 0.84 CTNNB1 (0.56) CYP1A2HRH4CTNNB1CPA1TDP1
SCHEMBL9194477 0.84 CPA1 (0.57) CYP1A2HRH4CTNNB1CPA1CPA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6008372-A ANTICARCINOGENIC, ANTIRESTENOSIS AND ANTIPSORIASIS AGENT WARNER-LAMBERT COMPANY (US) 1999-12-28 US disclosed
WO-1997026246-A1 SUBSTITUTED HISTIDINE INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-07-24 WO disclosed
US-5610177-A Acylated amino acids as endothelin antagonists WARNER-LAMBERT COMPANY (US) 1997-03-11 US disclosed
WO-1991009838-A1 NEW AMIDES AKTIEBOLAGET ASTRA (SE) 1991-07-11 WO disclosed
US-5024994-A Hypotensive agents WARNER-LAMBERT COMPANY (US) 1991-06-18 US disclosed
EP-0353211-A1 New compounds Aktiebolaget Hässle (SE) 1990-01-31 EP disclosed
EP-0186977-A2 Renin-inhibitory dipeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1986-07-09 EP disclosed