SCHEMBL11826969

SCHEMBL11826969

Cc1cc(C(Cl)CCC(=O)O)ccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 6/20 0.44
▸ AKR1C2 P52895 6/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ PTGS1 P23219 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ FABP2 P12104 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ AKR1C4 P17516 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40

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
SCHEMBL11836851 0.86 ALOX5 (0.42) AKR1C3AKR1C2PTGS1LMNAMEN1
SCHEMBL11830155 0.84 PRKAG1 (0.44) AKR1C3AKR1C2PTGS1LMNAMEN1
SCHEMBL11836380 0.84 PTGS1 (0.38) AKR1C3AKR1C2PTGS1LMNAMEN1
SCHEMBL11829271 0.83 ADAMTS4 (0.38) AKR1C3AKR1C2PTGS1LMNAMEN1
SCHEMBL11826110 0.83 HPGD (0.38) AKR1C3AKR1C2PTGS1LMNAMEN1
SCHEMBL11825726 0.83 ALDH1A1 (0.38) AKR1C3AKR1C2PTGS1LMNAMEN1
SCHEMBL11831306 0.83 AKR1C3 (0.56) AKR1C3AKR1C2PTGS1LMNAMEN1
SCHEMBL11829192 0.83 HPGD (0.38) AKR1C3AKR1C2PTGS1LMNAMEN1
SCHEMBL11830219 0.83 FFAR1 (0.39) AKR1C3AKR1C2PTGS1LMNAMEN1
SCHEMBL11834196 0.83 AKR1C3 (0.46) AKR1C3AKR1C2LMNAFFAR1

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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