SCHEMBL9645190

SCHEMBL9645190

CCC(=O)N1CCN(c2ccccc2)NC1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.46
G6PD P11413 3/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
BLM P54132 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ELANE P08246 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39
LMNA P02545 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
SCHEMBL9644523 0.83 ALOX5 (0.50) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL9645716 0.79 ALOX5 (0.46) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL14045038 0.75 MEN1 (0.56) BLMCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9646977 0.74 ALOX5 (0.51) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL9644469 0.72 ALOX5 (0.56) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL21765696 0.71 POLB (0.57) BLMCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9644628 0.68 ALOX5 (0.56) ALOX5CYP1A2CYP2C9CYP2C19HTT
SCHEMBL9645360 0.67 DDB1 (0.53) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL21765698 0.66 POLB (0.68) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL12781874 0.66 MAPT (0.70) BLMSMN1; SMN2ALDH1A1GAAMAPT

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-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US disclosed