SCHEMBL4662672

SCHEMBL4662672

CCC(C#N)(C(=O)O)C(c1ccc(N(C)C)cc1)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
ALDH1A1 P00352 7/20 0.43
TDP1 Q9NUW8 4/20 0.43
GAA P10253 3/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MCL1 Q07820 1/20 0.39
CNR2 P34972 2/20 0.38
RAB9A P51151 5/20 0.37
NOX1 Q9Y5S8 1/20 0.37
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4660186 0.88 PPARG (0.37) MAPTALDH1A1GAAOPRM1OPRD1
SCHEMBL4660128 0.88 ACP3 (0.42) ALDH1A1L3MBTL1HPGDSMN1; SMN2PPARG
SCHEMBL4661436 0.86 MEN1 (0.36) MAPTALDH1A1OPRM1OPRD1KDM4E
SCHEMBL4661534 0.84 CMA1 (0.39) ALDH1A1GAAHPGDPPARGPPARA
SCHEMBL4661396 0.81 PPARG (0.38) ALDH1A1GAAHPGDLMNAPPARG
SCHEMBL4662654 0.81 PPARG (0.38) ALDH1A1POLBHPGDPPARGPPARA
SCHEMBL4661453 0.79 MEN1 (0.45) MAPTPOLBL3MBTL1KDM4EMEN1
SCHEMBL4661587 0.79 ESR1 (0.45) ALDH1A1TDP1GAAPOLBL3MBTL1
SCHEMBL4661407 0.79 PPARG (0.46) HPGDPPARGPPARACTSSCTSK
SCHEMBL4660153 0.78 PPARG (0.36) MAPTALDH1A1GAAHPGDKMT2A

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
EP-1620102-B1 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH CORP (US) 2008-12-24 EP claimed