SCHEMBL11831098

SCHEMBL11831098

O=C(O)C(Br)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 8/20 0.58
▸ MMP13 P45452 5/20 0.58
▸ MMP2 P08253 1/20 0.58
▸ MMP9 P14780 1/20 0.58
▸ MMP14 P50281 1/20 0.58
▸ MME P08473 2/20 0.56
▸ FFAR1 O14842 1/20 0.55
▸ ACE P12821 1/20 0.50
▸ CPA1 P15085 1/20 0.50
▸ ACE2 Q9BYF1 1/20 0.50
▸ FDFT1 P37268 2/20 0.49
▸ ABCC4 O15439 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SRR Q9GZT4 1/20 0.46
▸ PSAT1 Q9Y617 1/20 0.46

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
SCHEMBL5870056 0.89 CNR2 (0.49) MMETSHRHTT
SCHEMBL4061138 0.89 CNR2 (0.49) MMETSHRHTT
SCHEMBL6248066 0.89 CNR2 (0.49) MMETSHRHTT
SCHEMBL6382096 0.81 SRR (0.57) MMEFFAR1ACECPA1ACE2
SCHEMBL10518208 0.80 ALDH1A1 (0.47) TSHR
SCHEMBL11835990 0.79 MMP12 (0.63) MMP12MMP13MMP2MMP9MMP14
SCHEMBL19345090 0.79 MMP12 (0.58) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11821854 0.79 MME (0.65) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11836621 0.79 MMP12 (0.58) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11823662 0.79 MMP12 (0.58) 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
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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