SCHEMBL11099252

SCHEMBL11099252

COc1ccc(CCCc2c[nH]c(S)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.49
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX5 P09917 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
DAO P14920 1/20 0.40
F2RL1 P55085 1/20 0.40
IDO1 P14902 1/20 0.40
ESR1 P03372 1/20 0.38
CYP19A1 P11511 1/20 0.38
ESR2 Q92731 1/20 0.38
MAOB P27338 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
SCHEMBL10424271 0.83 LTA4H (0.44) ALDH1A1IDO1
SCHEMBL949991 0.79 CALM1 (0.49) CALM1POLBALDH1A1ALOX5F2RL1
SCHEMBL244070 0.75 CALM1 (0.79) CALM1ALOX5TAAR1IGF1RALOX15
SCHEMBL10564786 0.72 CALM1 (0.50) CALM1POLBALDH1A1ALOX5TAAR1
SCHEMBL5046188 0.71 CALM1 (0.49) CALM1POLBALDH1A1ALOX5TAAR1
SCHEMBL4254058 0.71 CALM1 (0.72) CALM1ALOX5TAAR1IGF1RALOX15
SCHEMBL11007798 0.69 CALM1 (0.69) CALM1ALOX5TAAR1IGF1RALOX15
SCHEMBL10571532 0.69 CALM1 (0.69) CALM1ALOX5TAAR1IGF1RALOX15
SCHEMBL17400406 0.69 CALM1 (0.69) CALM1ALOX5TAAR1IGF1RALOX15
SCHEMBL9509173 0.69 CALM1 (0.69) CALM1ALOX5TAAR1IGF1RALOX15

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
EP-0125033-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1984-11-14 EP disclosed