SCHEMBL11520085

SCHEMBL11520085

CCOC(=O)CCCCC(NCc1ccc(F)cc1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.42
PPARG P37231 1/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
FAAH O00519 1/20 0.42
CYP4Z1 Q86W10 2/20 0.41
LMNA P02545 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP4F11 Q9HBI6 1/20 0.39

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
SCHEMBL334695 0.86 HPGD (0.47) MEN1GAAKMT2AHPGDTSHR
SCHEMBL11519593 0.84 HTT (0.49) MEN1GAAKMT2AHPGDTSHR
SCHEMBL11516756 0.84 HPGD (0.42) MEN1GAAKMT2AHPGDTSHR
SCHEMBL11519292 0.83 HTT (0.48) MEN1GAAKMT2AHPGDTSHR
SCHEMBL11516002 0.83 HTT (0.48) MEN1GAAKMT2AHPGDTSHR
Zafuleptine SCHEMBL2110004 0.83 HTT (0.48) MEN1GAAKMT2AHPGDTSHR
SCHEMBL11516163 0.83 HPGD (0.43) MEN1GAAKMT2AHPGDTSHR
SCHEMBL11515245 0.82 LMNA (0.49) MEN1GAAKMT2AHPGDTSHR
SCHEMBL11518505 0.79 MAPK1 (0.49) MEN1GAAKMT2AHPGDTSHR
SCHEMBL11515382 0.79 THRB (0.49) LMNA

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-4154851-A ANTIDEPRESSANTS, ANTIAGRESSIVE AGENTS SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1979-05-15 US disclosed