SCHEMBL12516486

SCHEMBL12516486

OCC(O)CCc1ccc(Oc2ccc(CCC(O)CCl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 3/20 0.48
▸ MMP13 P45452 2/20 0.48
▸ AR P10275 1/20 0.40
▸ LTA4H P09960 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ SLC18A2 Q05940 1/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ ADRB2 P07550 2/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ ACACB O00763 1/20 0.33

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
SCHEMBL12517335 0.93 MMP12 (0.53) MMP12MMP13LTA4HFFAR1MMP2
SCHEMBL12517696 0.80 MMP12 (0.39) MMP12MMP13ARMMP2MMP9
SCHEMBL10928948 0.79 HTT (0.50) STAT3ADRB2ADRB1ADRB3
SCHEMBL11451860 0.77 SLC18A2 (0.52) SLC18A2STAT3ADRB2ADRB1ADRB3
SCHEMBL11075117 0.77 ACACB (0.47) MMP12ARLTA4HADRB2ADRB1
SCHEMBL11100113 0.75 PPARA (0.40) MMP12MMP13ARMMP2MMP9
SCHEMBL12516488 0.75 MMP12 (0.36) MMP12MMP13MMP2MMP9MMP14
SCHEMBL14696198 0.75 AR (0.78) ARADRB2ADRB1ADRB3
SCHEMBL14696201 0.75 AR (0.78) ARADRB2ADRB1ADRB3
SCHEMBL409924 0.74 TAAR1 (0.45) 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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