SCHEMBL5688778

SCHEMBL5688778

O=C(O)[C@H]1CCN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM3 P20309 5/20 0.39
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA5 P08648 1/20 0.38
ITGA4 P13612 1/20 0.38
NOTUM Q6P988 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL5688777 1.00 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CHRM3CHRM2CHRM1
SCHEMBL5688772 1.00 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CHRM3CHRM2CHRM1
SCHEMBL4629178 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KEAP1NFE2L2ITGB3
SCHEMBL4629180 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KEAP1NFE2L2ITGB3
SCHEMBL17923185 0.88 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2CHRM3CHRM2CHRM1
SCHEMBL18040347 0.88 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2CHRM3CHRM2CHRM1
SCHEMBL25340944 0.86 CHRM3 (0.39) ALDH1A1CHRM3CHRM2CHRM1CHRM4
SCHEMBL20595792 0.86 CHRM3 (0.39) ALDH1A1CHRM3CHRM2CHRM1CHRM4
SCHEMBL2771369 0.82 KMT2A (0.44) ALDH1A1SMN1; SMN2CHRM3
SCHEMBL31618818 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916194-A Methods for delaying, preventing and treating acquired resistance to RAS inhibitors 锐新医药公司 2023-04-04 CN disclosed
CN-115873020-A RAS inhibitors 锐新医药公司 2023-03-31 CN disclosed
EP-0974670-B1 Process for producing optically active N-substituted azetidine-2-carboxylic acid compound SUMITOMO CHEMICAL CO (JP) 2006-09-13 EP disclosed
EP-1308519-B1 Process for improving optical purity of azetidine-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2006-04-19 EP disclosed
EP-1308519-A1 Process for improving optical purity of azetidine-2-carboxylic acid Sumitomo Chemical Company, Limited (JP) 2003-05-07 EP disclosed
EP-0855446-B1 Process for producing optically active azetidine-2-carboxylic acid derivative SUMITOMO CHEMICAL CO (JP) 2003-04-09 EP disclosed
US-6410279-B1 GENERATING PREFERENTIAL COMPOUND IN SOLUTION; OBTAIN N-SUBSTITUTED AZETIDINE-2-CARBOXYLIC ACID ESTER, INCUBATE WITH PREFERENTIAL ENZYME, RECOVER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6162621-A Process for producing optically active azetidine-2-carboxylic acid derivative SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-12-19 US disclosed
US-6143554-A Process for producing optically active n-substituted azetidine-2 carboxylic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-11-07 US disclosed
EP-0974670-A2 Process for producing optically active N-substituted azetidine-2-carboxylic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-26 EP disclosed
EP-0855446-A2 Process for producing optically active azetidine-2-carboxylic acid derivative SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-07-29 EP disclosed