SCHEMBL4060666

SCHEMBL4060666

COc1ccc(N2C(=O)[C@@H](OC(C)=O)[C@H]2c2ccco2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
SOAT1 P35610 1/20 0.39
HSD11B1 P28845 1/20 0.39
CCR1 P32246 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX3 P56373 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CCR2 P41597 1/20 0.38

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
SCHEMBL4053151 1.00 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL4053154 1.00 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL13778887 0.82 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2SOAT1HSD11B1CCR1
SCHEMBL4056342 0.82 SMN1; SMN2 (0.59) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL13980344 0.82 SMN1; SMN2 (0.59) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL9373947 0.82 SMN1; SMN2 (0.59) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL8125732 0.81 SOAT1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNASOAT1
SCHEMBL6651639 0.81 SOAT1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNASOAT1
SCHEMBL6651637 0.81 SOAT1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNASOAT1
SCHEMBL4168197 0.80 SMN1; SMN2 (0.40) SMN1; SMN2SOAT1HSD11B1CCR1RXFP1

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
WO-2009118750-A1 STEREOSELECTIVE HYDROLYSIS FOR THE RESOLUTION OF RACEMIC MIXTURES OF (+/-) -CIS-S-ACETOXY-L- (4-METHOXYPHENYL) -4- (2-FURYL) -2-AZETIDINONE, (+/-) -CIS-S-ACETOXY-L- (4-METHOXYPHENYL) -4- (2-THIENYL) -2-AZETIDINONE, OR COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-10-01 WO disclosed