SCHEMBL7873447

SCHEMBL7873447

CC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)OC(=O)N2CCC2C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CYP2C19 P33261 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ CD69 Q07108 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32

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
SCHEMBL7875487 0.80 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNARIPK1
SCHEMBL5702080 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HSD17B10RAB9ALMNA
SCHEMBL5702238 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HSD17B10RAB9ALMNA
SCHEMBL73360 0.77 HSD17B10 (0.56) ALDH1A1SMN1; SMN2HSD17B10RAB9ALMNA
SCHEMBL73359 0.77 HSD17B10 (0.56) ALDH1A1SMN1; SMN2HSD17B10RAB9ALMNA
SCHEMBL1631708 0.77 HSD17B10 (0.56) ALDH1A1SMN1; SMN2HSD17B10RAB9ALMNA
SCHEMBL7866287 0.72 HSD17B10 (0.42) ALDH1A1SMN1; SMN2HSD17B10RAB9ALMNA
SCHEMBL7877738 0.71 RAB9A (0.42) ALDH1A1SMN1; SMN2HSD17B10RAB9ALMNA
SCHEMBL7873464 0.71 RAB9A (0.42) ALDH1A1SMN1; SMN2HSD17B10RAB9ALMNA
SCHEMBL1788433 0.69 GABRA1 (0.44) SMN1; SMN2HSD17B10CYP2C19ELANECD69

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-6313315-B1 RESOLUTION; ENANTIOMORPHIC PURIFICATION; CRYSTALLIZATION IN SOLVENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-06 — — US disclosed
EP-1057810-A1 Method for producing n-protected-azetidine-2-carboxylic acids SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-06 — — EP disclosed
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