SCHEMBL11673151

SCHEMBL11673151

COc1ccc([C]=O)cc1[C]=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 2/20 0.40
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 1/20 0.39
STAT3 P40763 1/20 0.36
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
ACHE P22303 1/20 0.35
TSHR P16473 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL11593518 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EUSP2CYP3A4TDP1
SCHEMBL56335 0.83 CA2 (0.48) ALDH1A1CYP3A4TDP1HPGDCA2
SCHEMBL1799316 0.79 CA12 (0.56) ALDH1A1CYP3A4CA2CA12CA1
SCHEMBL6210745 0.79 AR (0.40) ALDH1A1CYP3A4TDP1HPGDACHE
SCHEMBL9320075 0.79 ALDH1A1 (0.43) ALDH1A1CA2CA1CA7CA9
SCHEMBL3349899 0.78 RAB9A (0.50) ALDH1A1CYP3A4TDP1HPGDMEN1
SCHEMBL10567689 0.78 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1CA2CA1
SCHEMBL22501559 0.78 CYP3A4 (0.38) ALDH1A1CYP3A4TDP1HPGDCA2
SCHEMBL28102237 0.78 ALDH1A1 (0.52) ALDH1A1KDM4ECYP3A4TDP1HPGD
SCHEMBL910063 0.78 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2CA1TSHR

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
US-4035344-A Process for preparing ordered aromatic copolyamide urea polymer THE FIRESTONE TIRE & RUBBER COMPANY (US) 1977-07-12 US disclosed
US-3960818-A Ordered aromatic copolyamide urea polymer THE FIRESTONE TIRE & RUBBER COMPANY (US) 1976-06-01 US disclosed