SCHEMBL10757342

SCHEMBL10757342

CC(=O)C(CCc1ccc(NCCCC2COC(C)(C)O2)cc1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ NAMPT P43490 3/20 0.34
▸ HCRTR2 O43614 3/20 0.31
▸ HCRTR1 O43613 2/20 0.31
▸ PPARA Q07869 3/20 0.31
▸ MAPK14 Q16539 2/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ MME P08473 2/20 0.30
▸ TERT O14746 1/20 0.30

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
SCHEMBL10760034 0.94 TMEM97 (0.38) TMEM97SIGMAR1NAMPTHCRTR2HCRTR1
SCHEMBL10755417 0.82 TMEM97 (0.34) TMEM97SIGMAR1NAMPTMAPK14
SCHEMBL10758766 0.82 PPARG (0.38) TMEM97SIGMAR1PPARAPPARG
SCHEMBL10757335 0.80 TMEM97 (0.34) TMEM97SIGMAR1NAMPTHCRTR2HCRTR1
SCHEMBL10759693 0.79 PPARG (0.39) TMEM97SIGMAR1PPARAMAPK14PPARG
SCHEMBL10758522 0.79 EPHX2 (0.40) TMEM97SIGMAR1NAMPT
SCHEMBL10755422 0.76 NAMPT (0.34) TMEM97SIGMAR1NAMPTMAPK14
SCHEMBL10759260 0.76 TMEM97 (0.41) TMEM97SIGMAR1NAMPT
SCHEMBL10759256 0.76 TMEM97 (0.41) TMEM97SIGMAR1NAMPT
SCHEMBL10757112 0.76 TMEM97 (0.36) TMEM97SIGMAR1NAMPTMAPK14

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
US-4672071-A Antihypertensive dihydropyridine compositions, optical isomers and intermediates SYNTEX (U.S.A.) INC. (US) 1987-06-09 — — US disclosed
EP-0191448-A2 Antihypertensive dihydropyridine derivatives SYNTEX (U.S.A.) INC. (US) 1986-08-20 — — EP disclosed
US-4595690-A Hypotensive agents SYNTEX (U.S.A.) INC. (US) 1986-06-17 — — US disclosed
Send feedback