SCHEMBL4670464

SCHEMBL4670464

COC(=O)C1(CCCC(C)O)c2ccccc2Oc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
P2RX4 Q99571 2/20 0.35
REN P00797 1/20 0.34
CHRM2 P08172 4/20 0.33
CHRM1 P11229 4/20 0.33
CHRM3 P20309 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
KCNH2 Q12809 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL4667739 0.83 CYP4F2 (0.39) ALOX5L3MBTL1P2RX4RENCHRM2
SCHEMBL4669426 0.82 KMT2A (0.41) ALOX5P2RX4RENTSHR
SCHEMBL4667732 0.82 REN (0.48) ALOX5L3MBTL1P2RX4RENCHRM2
SCHEMBL4669425 0.80 MEN1 (0.47) ALOX5P2RX4RENCHRM2CHRM1
Bromide SCHEMBL11067184 0.79 ALOX5 (0.38) ALOX5L3MBTL1P2RX4RENCHRM2
SCHEMBL4221762 0.78 P2RX4 (0.41) ALOX5L3MBTL1P2RX4CHRM2CHRM1
SCHEMBL4669085 0.76 ALOX5 (0.36) ALOX5L3MBTL1P2RX4RENCHRM2
SCHEMBL11996613 0.72 P2RX4 (0.41) ALOX5L3MBTL1P2RX4
SCHEMBL15691733 0.71 ALDH1A1 (0.44)
SCHEMBL2596466 0.70 P2RX4 (0.45) ALOX5L3MBTL1P2RX4CHRM2CHRM1

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
EP-1879882-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2008-01-23 EP disclosed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 WO disclosed