SCHEMBL10760034

SCHEMBL10760034

CC(=O)C(CCc1ccc(NCCC2COC(C)(C)O2)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ NAMPT P43490 3/20 0.35
▸ HCRTR2 O43614 5/20 0.32
▸ HCRTR1 O43613 4/20 0.32
▸ MAPK14 Q16539 3/20 0.32
▸ HTR1A P08908 2/20 0.31
▸ ADRA1D P25100 2/20 0.31
▸ ADRA1A P35348 2/20 0.31
▸ ADRA1B P35368 2/20 0.31
▸ TERT O14746 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ P2RX3 P56373 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
SCHEMBL10757342 0.94 TMEM97 (0.36) TMEM97SIGMAR1NAMPTHCRTR2HCRTR1
SCHEMBL10759260 0.82 TMEM97 (0.41) TMEM97SIGMAR1NAMPT
SCHEMBL10759256 0.82 TMEM97 (0.41) TMEM97SIGMAR1NAMPT
SCHEMBL10757112 0.82 TMEM97 (0.36) TMEM97SIGMAR1NAMPTMAPK14CA2
SCHEMBL10754804 0.82 TMEM97 (0.36) TMEM97SIGMAR1NAMPTMAPK14CA2
SCHEMBL10759693 0.81 PPARG (0.39) TMEM97SIGMAR1MAPK14HTR1AADRA1D
SCHEMBL10758766 0.80 PPARG (0.38) TMEM97SIGMAR1HTR1AADRA1DADRA1A
SCHEMBL10760027 0.79 TMEM97 (0.35) TMEM97SIGMAR1NAMPTHCRTR2HCRTR1
SCHEMBL10758227 0.78 EPHX2 (0.41) TMEM97SIGMAR1NAMPT
SCHEMBL10755417 0.75 TMEM97 (0.34) TMEM97SIGMAR1NAMPTMAPK14CA2

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-4672071-A Antihypertensive dihydropyridine compositions, optical isomers and intermediates SYNTEX (U.S.A.) INC. (US) 1987-06-09 — — US disclosed
US-4595690-A Hypotensive agents SYNTEX (U.S.A.) INC. (US) 1986-06-17 — — US disclosed
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