SCHEMBL9463510

SCHEMBL9463510

COc1cn(CC(C)(C)CC(=O)O)c(C#N)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.32
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
RECQL P46063 1/20 0.31
ATM Q13315 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA4 P48058 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL24031578 0.67 GAA (0.34) ALDH1A1
SCHEMBL24035530 0.67 GAA (0.32) ALDH1A1
SCHEMBL9463507 0.60 IMPDH2 (0.32) HPGDALDH1A1
Water SCHEMBL14109826 0.60 KDM4E (0.59) ALDH1A1CYP2C19
SCHEMBL28256427 0.60 CA12 (0.60) MAPTLMNACYP2C9ALDH1A1CYP1A2
SCHEMBL24035535 0.59 POLB (0.34) HPGDMAPTCYP2C9ALDH1A1CYP1A2
SCHEMBL24031584 0.59 GAA (0.34) HPGDMAPTCYP2C9ALDH1A1CYP1A2
Acetonitrile SCHEMBL1773605 0.59 KDM4E (0.52) ALDH1A1CYP2C19
SCHEMBL21632040 0.58 POLB (0.45) LMNAATMALDH1A1CYP2C19
SCHEMBL30161775 0.56 ALDH1A1 (0.31) ALDH1A1

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-5232979-A Insecticides, miticides, nematocides AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed