SCHEMBL7315746

SCHEMBL7315746

BrCCCCc1ccc(Oc2ccc(CCCCBr)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.43
ALOX15 P16050 3/20 0.43
FFAR1 O14842 1/20 0.41
ST14 Q9Y5Y6 1/20 0.40
SRD5A2 P31213 2/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CALM1 P0DP23 1/20 0.39
LTA4H P09960 1/20 0.39
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37
FDFT1 P37268 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL11453691 0.93 FFAR1 (0.42) IGF1RALOX15FFAR1ST14SRD5A2
SCHEMBL7369384 0.92 FFAR1 (0.53) FFAR1SRD5A2LTA4HPLAAT3PLAAT5
SCHEMBL7364825 0.90 FFAR1 (0.51) FFAR1SRD5A2LTA4HPLAAT3PLAAT5
SCHEMBL7442396 0.90 FFAR1 (0.51) FFAR1SRD5A2LTA4HPLAAT3PLAAT5
SCHEMBL5380612 0.85 FFAR1 (0.55) FFAR1SRD5A2LTA4HPLAAT3PLAAT5
SCHEMBL2177163 0.85 THRA (0.47) IGF1RALOX15THRATHRB
SCHEMBL22228113 0.84 PARP10 (0.46) FFAR1SRD5A2THRATHRB
SCHEMBL6054583 0.83 TDP1 (0.52) FFAR1ST14SRD5A2LTA4H
SCHEMBL9670640 0.83 THRA (0.50) THRATHRB
SCHEMBL9673266 0.83 THRA (0.50) THRATHRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962513-A CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1999-10-05 US disclosed
US-5468882-A Serotoninergic agents; central nervous system and psychological disorders BAYER AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
US-5318988-A Treating psychoses BAYER AKTIENGESELLSCHAFT (DE) 1994-06-07 US disclosed