SCHEMBL5702080

SCHEMBL5702080

CC(C)(C)c1cc(C(C)(C)C)c(OC(=O)N2CC[C@H]2C(=O)O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ RARG P13631 3/20 0.35
▸ RXRA P19793 3/20 0.35
▸ PPARG P37231 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ ELANE P08246 1/20 0.33
▸ CD69 Q07108 1/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL5702238 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2RARGRXRAPPARG
SCHEMBL2769622 0.87 FKBP1A (0.37) ALDH1A1SMN1; SMN2RARGRXRAPPARG
SCHEMBL7873447 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2RXRARAB9ANPSR1
SCHEMBL7866010 0.70 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2RAB9ANPSR1POLB
SCHEMBL73359 0.69 HSD17B10 (0.56) ALDH1A1SMN1; SMN2RAB9ANPSR1NPC1
SCHEMBL1631708 0.69 HSD17B10 (0.56) ALDH1A1SMN1; SMN2RAB9ANPSR1NPC1
SCHEMBL73360 0.69 HSD17B10 (0.56) ALDH1A1SMN1; SMN2RAB9ANPSR1NPC1
SCHEMBL7871674 0.68 SMN1; SMN2 (0.82) ALDH1A1SMN1; SMN2RAB9ANPSR1POLB
SCHEMBL17092984 0.68 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2RAB9ANPSR1POLB
SCHEMBL3292544 0.67 VCAM1 (0.39) RARGRXRAPPARGELANECD69

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
EP-0974670-B1 Process for producing optically active N-substituted azetidine-2-carboxylic acid compound SUMITOMO CHEMICAL CO (JP) 2006-09-13 — — EP 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
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