SCHEMBL9181576

SCHEMBL9181576

COC(=O)N1CCCC(O)(CN)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.47
CYP1A2 P05177 8/20 0.47
CYP2D6 P10635 7/20 0.47
ALDH1A1 P00352 4/20 0.47
USP2 O75604 1/20 0.45
CYP3A4 P08684 6/20 0.43
TSHR P16473 5/20 0.43
CYP2C19 P33261 5/20 0.43
HSD17B10 Q99714 2/20 0.42
HIF1A Q16665 2/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL21193197 0.83 HPGD (0.41) ALDH1A1USP2HPGD
SCHEMBL9177991 0.83 CYP2C9 (0.46) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL9180228 0.80 CYP2C9 (0.44) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL10514286 0.80 USP2 (0.36) CYP1A2ALDH1A1USP2TSHR
SCHEMBL28520243 0.80 CYP2D6 (0.49) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL12895649 0.76 CYP2C9 (0.51) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL12254227 0.75 CYP2C9 (0.54) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL10514266 0.75 USP2 (0.31) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL29891860 0.74 CYP1A2 (0.65) CYP2C9CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL6127950 0.74 SMN1; SMN2 (0.50) CYP2C9CYP1A2CYP2D6CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5453422-A Animal growth promoters BAYER AKTIENGESELLSCHAFT (DE) 1995-09-26 US disclosed
US-5284842-A Active against gramnegative bacteria BAYER AKTIENGESELLSCHAFT (DE) 1994-02-08 US disclosed
US-5173484-A Animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-12-22 US disclosed