SCHEMBL7743299

SCHEMBL7743299

CCCCC(Br)CCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.70
TP53 P04637 1/20 0.62
TSHR P16473 1/20 0.62
PLA2G4B P0C869 7/20 0.61
PLA2G4A P47712 1/20 0.56
MAPK1 P28482 1/20 0.55
PTGES O14684 1/20 0.53
ALOX5 P09917 1/20 0.53
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
PTPN11 Q06124 2/20 0.52
HTT P42858 1/20 0.51

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
SCHEMBL11445003 0.88 TP53 (0.68) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8081583 0.87 RARB (0.90) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7336812 0.87 RARB (0.90) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL6302467 0.84 ALOX5 (0.59) RARBMAPK1PTGESALOX5PPARG
SCHEMBL3074389 0.84 RARB (0.97) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL2490183 0.84 RARB (0.97) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9868849 0.83 TP53 (0.69) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8532269 0.83 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL641904 0.83 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL5858775 0.83 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A

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-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed