SCHEMBL11259641

SCHEMBL11259641

CCC(C#N)(CCCC(=O)O)c1cccc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
LMNA P02545 1/20 0.41
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
EGFR P00533 1/20 0.38
ERBB3 P21860 1/20 0.38
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
LTB4R Q15722 1/20 0.38
PDE4B Q07343 1/20 0.37
CTSL P07711 1/20 0.37

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
SCHEMBL11092926 0.90 EBP (0.43) FFAR1FFAR4LMNAPPARGPPARA
SCHEMBL19127283 0.89 NPC1 (0.38) CES2CES1HSD17B10CTSL
SCHEMBL11263347 0.88 FFAR1 (0.38) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL11074467 0.86 LMNA (0.46) FFAR1FFAR4LMNACES2CES1
SCHEMBL9079230 0.82 KIF11 (0.42) CES2CES1ALDH1A1HPGDHSD17B10
SCHEMBL11259430 0.80 RXRA (0.38) FFAR1FFAR4LMNAPPARGPPARD
SCHEMBL9080579 0.76 MAOB (0.43) MAOBCTSLKMT2A
SCHEMBL20698826 0.76 CCR1 (0.43) LMNAALDH1A1HPGD
SCHEMBL4874767 0.75 CASP1 (0.44) LMNACES2CES1ALDH1A1HSD17B10
SCHEMBL7309094 0.75 CNR1 (0.46) HSD17B10PDE4B

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-0062019-A1 New phenyl-perhydroazepines Aktiebolaget Hässle (SE) 1982-10-06 EP disclosed