SCHEMBL10692792

SCHEMBL10692792

CC(=O)OCCSCc1cc(CSCCOC(C)=O)c(O)c(CSCCOC(C)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.38
HPGD P15428 1/20 0.35
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP3A4 P08684 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRM3 P20309 1/20 0.31
TBXA2R P21731 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL1275800 0.88 HSPA5 (0.41) TNKS2ALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL10686362 0.79 HPGD (0.40) HPGDALDH1A1CYP1A2CYP2C9APEX1
SCHEMBL10691474 0.79 TDP1 (0.47) ALDH1A1SMN1; SMN2TSHR
SCHEMBL10702308 0.77 ALDH1A1 (0.45) HPGDALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL10690952 0.76 ALDH1A1 (0.37) HPGDALDH1A1CYP2C9CYP3A4POLB
SCHEMBL1274840 0.76 ESR1 (0.32) TNKS2ALDH1A1
SCHEMBL31518753 0.76 CYP2C19 (0.56) HPGDALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL10692300 0.73 CYP2C19 (0.58) HPGDALDH1A1CYP1A2CYP2C9APEX1
SCHEMBL10990219 0.73 HTT (0.48) ALDH1A1CYP1A2CYP2C9CYP3A4SMN1; SMN2
SCHEMBL10869357 0.73 GAA (0.38) ALDH1A1CYP1A2CYP3A4TSHR

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-4741846-A STABILIZERS FOR POLYMERS OR LUBRICANTS CIBA-GEIGY CORPORATION (US) 1988-05-03 US disclosed