SCHEMBL11825638

SCHEMBL11825638

OC(CCl)Cc1ccc(-c2ccccc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PPARA Q07869 10/20 0.36
▸ PPARG P37231 9/20 0.36
▸ SRR Q9GZT4 2/20 0.33
▸ PSAT1 Q9Y617 2/20 0.33
▸ MME P08473 1/20 0.33
▸ SLC18A3 Q16572 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ CXCR3 P49682 1/20 0.32

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
SCHEMBL11828723 0.82 MAOB (0.51) PPARAPPARGMMEMAOB
SCHEMBL11830862 0.81 ALDH1A1 (0.39) ALDH1A1MAPK1PPARAPPARGSRR
SCHEMBL11830114 0.81 PPARG (0.51) PPARAPPARGMME
SCHEMBL15517655 0.79 SRR (0.50) ALDH1A1PPARAPPARGSRRPSAT1
SCHEMBL28633253 0.79 SRR (0.50) ALDH1A1PPARAPPARGSRRPSAT1
SCHEMBL10187479 0.79 SRR (0.50) ALDH1A1PPARAPPARGSRRPSAT1
SCHEMBL11834388 0.78 PPARG (0.40) ALDH1A1MAPK1PPARAPPARGSRR
SCHEMBL1249731 0.77 MAPK1 (0.58) ALDH1A1MAPK1MAOBCXCR3
SCHEMBL6251334 0.75 ALDH1A1 (0.60) ALDH1A1MAPK1MAOBCXCR3
SCHEMBL25703539 0.75 PPARG (0.42) PPARAPPARGMMESLC18A3

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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