SCHEMBL6694867

SCHEMBL6694867

CCCc1cccc2sc(SSc3nc4c(CCC)cccc4s3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
FBP1 P09467 3/20 0.43
PDK1 Q15118 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
DRD2 P14416 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
MC5R P33032 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
OPRK1 P41145 1/20 0.43
CCR2 P41597 1/20 0.43
HTR6 P50406 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL1771423 0.87 MEN1 (0.49) ALDH1A1FBP1PDK1TDP1ADRA2A
SCHEMBL6694175 0.82 MEN1 (0.36) ALDH1A1FBP1TDP1MEN1KMT2A
SCHEMBL29683632 0.82 MEN1 (0.36) ALDH1A1FBP1TDP1MEN1KMT2A
SCHEMBL30114670 0.80 SMN1; SMN2 (0.35) FBP1MEN1KMT2APTGS2IDO1
SCHEMBL583151 0.79 PTGS2 (0.41) ALDH1A1FBP1TDP1MEN1KMT2A
SCHEMBL503102 0.79 PTGS2 (0.41) ALDH1A1FBP1MEN1KMT2APTGS2
SCHEMBL30305194 0.79 PTGS2 (0.41) ALDH1A1FBP1TDP1MEN1KMT2A
SCHEMBL11443106 0.79 MEN1 (0.42) ALDH1A1TDP1HPGDMEN1KMT2A
SCHEMBL8097167 0.79 ALDH1A1 (0.56) ALDH1A1TDP1DRD2HPGDMEN1
SCHEMBL9722755 0.79 ALDH1A1 (0.57) ALDH1A1FBP1TDP1DRD2DRD3

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
EP-0869016-B1 Pneumatic radial tires BRIDGESTONE CORP (JP) 2004-03-03 EP disclosed
US-6336486-B1 Pneumatic radical tire having cap base tread BRIDGESTONE CORPORATION (JP) 2002-01-08 US disclosed
EP-0869016-A2 Pneumatic radial tires Bridgestone Corporation (JP) 1998-10-07 EP disclosed