SCHEMBL10759260

SCHEMBL10759260

CC1(C)OC[C@H](CCNc2ccc(CC(=O)O)cc2)O1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ FFAR1 O14842 2/20 0.39
▸ CYP26A1 O43174 6/20 0.39
▸ CYP26B1 Q9NR63 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NAMPT P43490 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CRHR1 P34998 1/20 0.36

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
SCHEMBL10759256 1.00 TMEM97 (0.41) TMEM97SIGMAR1FFAR1CYP26A1CYP26B1
SCHEMBL10758227 0.88 EPHX2 (0.41) TMEM97SIGMAR1SMN1; SMN2GAANAMPT
SCHEMBL10753422 0.88 SMN1; SMN2 (0.45) TMEM97SIGMAR1FFAR1CYP26A1CYP26B1
SCHEMBL10760974 0.88 SMN1; SMN2 (0.45) TMEM97SIGMAR1FFAR1CYP26A1CYP26B1
SCHEMBL10753411 0.88 SMN1; SMN2 (0.45) TMEM97SIGMAR1FFAR1CYP26A1CYP26B1
SCHEMBL10754804 0.82 TMEM97 (0.36) TMEM97SIGMAR1NAMPT
SCHEMBL10757112 0.82 TMEM97 (0.36) TMEM97SIGMAR1NAMPT
SCHEMBL10760034 0.82 TMEM97 (0.38) TMEM97SIGMAR1NAMPT
SCHEMBL10758522 0.81 EPHX2 (0.40) TMEM97SIGMAR1SMN1; SMN2GAANAMPT
SCHEMBL10758933 0.78 TMEM97 (0.41) TMEM97SIGMAR1CYP26A1CYP26B1SMN1; SMN2

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
US-4672071-A Antihypertensive dihydropyridine compositions, optical isomers and intermediates SYNTEX (U.S.A.) INC. (US) 1987-06-09 — — US disclosed
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