SCHEMBL9407359

SCHEMBL9407359

CCCC/C=C(\C)C(=O)OCC1CO1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ENPP2 Q13822 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35

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
SCHEMBL1685757 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TDP1TP53CYP3A4
SCHEMBL9441615 0.94 ALDH1A1 (0.50) ALDH1A1TDP1ENPP2LPAR2
SCHEMBL28284070 0.94 ALDH1A1 (0.50) ALDH1A1TDP1ENPP2LPAR2
SCHEMBL607208 0.94 ALDH1A1 (0.50) ALDH1A1TDP1ENPP2LPAR2
SCHEMBL3143464 0.91 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TDP1TP53CYP3A4
SCHEMBL9407358 0.91 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TDP1TP53CYP3A4
Sulfuric Acid SCHEMBL27697755 0.88 ALDH1A1 (0.44) ALDH1A1TDP1ENPP2LPAR2
SCHEMBL4890199 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL9129121 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL4898336 0.87 ALDH1A1 (0.51) ALDH1A1TP53CYP3A4

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-5328794-A Toner for developing electrostatic latent images RICOH COMPANY, LTD. (JP) 1994-07-12 US disclosed