SCHEMBL12517696

SCHEMBL12517696

OCC(O)CCc1ccc(Sc2ccc(CCC(O)CCl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 6/20 0.39
▸ MMP13 P45452 6/20 0.39
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ AR P10275 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ NOD2 Q9HC29 1/20 0.31
▸ THRB P10828 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ ADRB3 P13945 1/20 0.30

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
SCHEMBL12516488 0.94 MMP12 (0.36) MMP12MMP13MMP2MMP9MMP14
SCHEMBL12516480 0.82 MMP12 (0.31) MMP12MMP13
SCHEMBL12516486 0.80 MMP12 (0.48) MMP12MMP13MMP2MMP9MMP14
SCHEMBL12516479 0.79 HPGD (0.38) MMP12MMP13STAT3SLC6A4ADRB3
SCHEMBL16314688 0.74 TAAR1 (0.45) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11462575 0.74 TAAR1 (0.45) MMP12MMP13MMP2MMP9MMP14
SCHEMBL409924 0.74 TAAR1 (0.45) MMP12MMP13MMP2MMP9MMP14
SCHEMBL408931 0.73 TAAR1 (0.43) MMP12MMP13MMP2MMP9MMP14
SCHEMBL10247192 0.73 CYP1A2 (0.43) MMP12MMP13MMP2MMP9MMP14
SCHEMBL8371056 0.72 MMP12 (0.49) MMP12MMP13MMP2MMP9MMP14

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-2011082488-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2011-07-14 — — WO disclosed
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