SCHEMBL9788955

SCHEMBL9788955

CCCCc1ccc(C=CC(O)=S)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TRPM2 O94759 3/20 0.47
CYSLTR2 Q9NS75 3/20 0.47
CYSLTR1 Q9Y271 3/20 0.47
PLA2G1B P04054 2/20 0.47
TRPA1 O75762 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
SPHK1 Q9NYA1 2/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45

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
SCHEMBL10497562 0.83 CYSLTR2 (0.51) ALDH1A1HPGDHSD17B10TRPM2CYSLTR2
SCHEMBL1206901 0.83 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10TRPM2CYSLTR2
SCHEMBL1206905 0.83 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10TRPM2CYSLTR2
SCHEMBL28614845 0.83 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10TRPM2CYSLTR2
Hydrochloric Acid SCHEMBL11763070 0.81 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10TRPM2CYSLTR2
SCHEMBL6547403 0.80 CYP4F2 (0.45) GRIN1GRIN2BCA1CA2
SCHEMBL6547408 0.80 CYP4F2 (0.45) GRIN1GRIN2BCA1CA2
SCHEMBL9342772 0.80 THRA (0.44) TRPM2CYSLTR2CYSLTR1PLA2G1BTRPA1
SCHEMBL10497344 0.80 THRA (0.51) TRPM2CYSLTR2CYSLTR1PLA2G1BTRPA1
SCHEMBL10497177 0.80 PLA2G1B (0.48) TRPM2CYSLTR2CYSLTR1PLA2G1BTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3287137-A None JP disclosed
JP-H03287137-A ORGANIC NONLINEAR OPTICAL MATERIAL SEKISUI CHEM CO LTD 1991-12-17 JP disclosed