SCHEMBL3314724

SCHEMBL3314724

CCCCCSSc1nnc(SSCCCCC)s1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.32
FBP1 P09467 2/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
APEX1 P27695 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
SCHEMBL1604305 0.98 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2USP2FBP1CXCR1
SCHEMBL283628 0.98 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2USP2FBP1CXCR1
SCHEMBL284669 0.98 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2USP2FBP1CXCR1
SCHEMBL886838 0.98 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2USP2FBP1CXCR1
SCHEMBL283431 0.98 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2USP2FBP1CXCR1
SCHEMBL1606256 0.98 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2USP2FBP1CXCR1
Hydrogen Sulfide SCHEMBL28815717 0.96 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2USP2CXCR1CXCR2
SCHEMBL31213183 0.89 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL21874809 0.88 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL7797278 0.86 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2USP2

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-20100105590-A1 LUBRICATING OIL COMPOSITION SHOWA SHELL SEKIYU K.K. (JP) 2010-04-29 US disclosed