SCHEMBL7676989

SCHEMBL7676989

CC(C)[C@@H](N)C(O)(C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL7676998 1.00 ALDH1A1 (0.53) ALDH1A1CYP2C19
SCHEMBL7108139 0.73 ALDH1A1 (0.60) ALDH1A1CYP2C19
SCHEMBL7675612 0.73 ALDH1A1 (0.60) ALDH1A1CYP2C19
SCHEMBL7106022 0.73 ALDH1A1 (0.50) ALDH1A1CYP2C19
SCHEMBL7677224 0.73 ALDH1A1 (0.50) ALDH1A1CYP2C19
SCHEMBL1317473 0.71 ALDH1A1 (1.00) ALDH1A1CYP2C19
SCHEMBL1152595 0.71
SCHEMBL12148185 0.71
SCHEMBL1152593 0.71
Hydrochloric Acid SCHEMBL12539063 0.69 ALDH1A1 (0.30) ALDH1A1CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410741-B1 INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6072081-A Optically active bisoxazoline compounds, production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-06 US disclosed