SCHEMBL9407358

SCHEMBL9407358

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MGLL Q99685 1/20 0.33

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
SCHEMBL3143464 1.00 ALDH1A1 (0.56) ALDH1A1TP53CYP3A4SMN1; SMN2TDP1
SCHEMBL1685757 0.91 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4SMN1; SMN2TDP1
SCHEMBL9407359 0.91 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4SMN1; SMN2TDP1
SCHEMBL9441615 0.88 ALDH1A1 (0.50) ALDH1A1TDP1
SCHEMBL28284070 0.88 ALDH1A1 (0.50) ALDH1A1TDP1
SCHEMBL607208 0.88 ALDH1A1 (0.50) ALDH1A1TDP1
SCHEMBL4902307 0.87 ALDH1A1 (0.56) ALDH1A1TP53CYP3A4MGLL
SCHEMBL1809471 0.87 ALDH1A1 (0.59) ALDH1A1TP53CYP3A4SMN1; SMN2MGLL
SCHEMBL27736583 0.84 SMN1; SMN2 (0.50) ALDH1A1TP53CYP3A4SMN1; SMN2TDP1
SCHEMBL4890199 0.84 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4SMN1; SMN2MGLL

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