SCHEMBL8713115

SCHEMBL8713115

CC(CCCc1ccccc1Br)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.48
TSHR P16473 1/20 0.44
GPR52 Q9Y2T5 1/20 0.43
TAAR1 Q96RJ0 3/20 0.42
HPGD P15428 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
BLM P54132 1/20 0.40
APAF1 O14727 1/20 0.38
ANPEP P15144 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL16995424 0.90 TSHR (0.50) LTB4RTSHRGPR52TAAR1HPGD
SCHEMBL29133246 0.81 LTB4R (0.47) LTB4RTSHRBLMAPAF1CYSLTR2
SCHEMBL17675151 0.81 GRIK1 (0.48) GPR52TAAR1
SCHEMBL23034594 0.80 CTSS (0.41) TSHRGPR52TAAR1
SCHEMBL31558898 0.80 APAF1 (0.51) TSHRGPR52HPGDPPARGPPARA
SCHEMBL23189271 0.80 APAF1 (0.51) TSHRGPR52HPGDPPARGPPARA
SCHEMBL14036598 0.80 TAAR1 (0.47) TSHRGPR52TAAR1HPGD
SCHEMBL1452939 0.80 APAF1 (0.51) TSHRGPR52HPGDPPARGPPARA
SCHEMBL27885363 0.78 TSHR (0.50) TSHRTAAR1HPGD
SCHEMBL16393648 0.78 GPR52 (0.49) TSHRGPR52TAAR1HPGDPPARG

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-5705584-A COORDINATION CATALYSTS FOR ADDITION POLYMERIZATION OF PROPYLENE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US disclosed