SCHEMBL2741872

SCHEMBL2741872

COC(=O)C1=CCCCC1S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
CHRM3 P20309 2/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 6/20 0.35
HSD17B10 Q99714 5/20 0.35
HPGD P15428 4/20 0.35
GAA P10253 3/20 0.35
CASP1 P29466 3/20 0.35
CASP7 P55210 3/20 0.35
TSHR P16473 2/20 0.35
ATM Q13315 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
EPHX2 P34913 1/20 0.35
THRB P10828 2/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL10229490 0.81 TLR4 (0.44) ALDH1A1HSD17B10HPGDTSHRSMN1; SMN2
SCHEMBL23417814 0.80 KCNH2 (0.41) KCNH2CHRM3ALDH1A1KDM4EHSD17B10
SCHEMBL31174918 0.79 KCNH2 (0.41) KCNH2CHRM3ALDH1A1KDM4EHSD17B10
SCHEMBL24411147 0.79 KCNH2 (0.41) KCNH2CHRM3ALDH1A1KDM4EHSD17B10
SCHEMBL24411156 0.79 KCNH2 (0.41) KCNH2CHRM3ALDH1A1KDM4EHSD17B10
SCHEMBL24411158 0.79 KCNH2 (0.41) KCNH2CHRM3ALDH1A1KDM4EHSD17B10
SCHEMBL24411148 0.79 KCNH2 (0.41) KCNH2CHRM3ALDH1A1KDM4EHSD17B10
SCHEMBL12621094 0.77 CHRNB2 (0.30) ALDH1A1
SCHEMBL23417976 0.75 TLR4 (0.44) KCNH2CHRM3ALDH1A1KDM4EHSD17B10
SCHEMBL16162225 0.73 GRM2 (0.37) KCNH2TSHRSMN1; SMN2

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-2402818-A1 Photosensitive composition, pattern forming material, and photosensitive film, pattern forming method, pattern film, low refractive index film, optical device and solid-state imaging device each using the same FUJIFILM Corporation (JP) 2012-01-04 EP disclosed