SCHEMBL8940667

SCHEMBL8940667

CCCCCCCOc1ccc(O)c(-c2cc(OCCCCCCC)ccc2OC)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.51
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
PLA2G4B P0C869 1/20 0.48
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LTA4H P09960 1/20 0.45
CNR2 P34972 2/20 0.44
SMPD1 P17405 1/20 0.44

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
SCHEMBL8940719 0.92 NR5A1 (0.49) NR5A1THRATHRBPLA2G4BMEN1
SCHEMBL9333938 0.82 PTPN11 (0.56) NR5A1PLA2G4BMEN1NPC1ALDH1A1
SCHEMBL9735320 0.82 PTPN11 (0.56) NR5A1PLA2G4BMEN1NPC1ALDH1A1
SCHEMBL8943391 0.82 PTPN11 (0.56) NR5A1PLA2G4BMEN1NPC1ALDH1A1
SCHEMBL9170976 0.82 PTPN11 (0.56) NR5A1PLA2G4BMEN1NPC1ALDH1A1
SCHEMBL16314448 0.80 THRA (0.56) NR5A1THRATHRBPLA2G4BSMPD1
SCHEMBL25759920 0.80 MAOB (0.50) NR5A1THRATHRBLTA4H
SCHEMBL2091707 0.79 NR5A1 (0.61) NR5A1THRATHRBPLA2G4BLTA4H
SCHEMBL4963096 0.79 NR5A1 (0.66) NR5A1PLA2G4BMEN1NPC1ALDH1A1
SCHEMBL4963128 0.79 NR5A1 (0.66) NR5A1PLA2G4BMEN1NPC1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700384-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER (US) 1996-03-13 EP disclosed
WO-1994027966-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER INC. (US) 1994-12-08 WO disclosed
EP-0581777-A1 STEREOSELECTIVE PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1994-02-09 EP disclosed
WO-1992017449-A1 STEREOSELECTIVE PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1992-10-15 WO disclosed