SCHEMBL10756331

SCHEMBL10756331

CCCCCCCCCCCCCCCCCCOC(=O)C(CSc1nc2ccccc2s1)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
POLB P06746 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CYP1A2 P05177 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
STAT1 P42224 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
APEX1 P27695 2/20 0.46
RECQL P46063 1/20 0.46
MEN1 O00255 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
SCHEMBL10759198 0.96 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
SCHEMBL9811031 0.92 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
SCHEMBL10763608 0.87 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
SCHEMBL9811202 0.87 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
SCHEMBL10644469 0.83 ALOX5 (0.49) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
SCHEMBL10757484 0.83 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
Butane SCHEMBL10756724 0.83 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
SCHEMBL9811210 0.83 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
SCHEMBL10761935 0.82 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1HPGDPOLBTSHR
SCHEMBL10764127 0.81 POLB (0.52) SMN1; SMN2ALDH1A1HPGDPOLBTSHR

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-4696763-A PAINTS, BLENDS CIBA-GEIGY CORPORATION (US) 1987-09-29 US disclosed