SCHEMBL8940819

SCHEMBL8940819

COc1ccc(C(C)C)cc1-c1cc(C(C)C)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
LMNA P02545 1/20 0.50
USP7 Q93009 2/20 0.45
FYN P06241 1/20 0.45
ALDH1A1 P00352 5/20 0.44
TRPA1 O75762 1/20 0.43
PTGS1 P23219 1/20 0.43
CACNA1C Q13936 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ERN1 O75460 1/20 0.42
CETP P11597 4/20 0.41
HPGD P15428 1/20 0.41
CASR P41180 1/20 0.40

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
SCHEMBL9258765 0.88 ERN1 (0.53) HDAC4HDAC8LMNAFYNERN1
SCHEMBL14417433 0.86 LMNA (0.56) HDAC4HDAC8LMNAALDH1A1TRPA1
SCHEMBL11951612 0.85 CASR (0.53) HDAC4HDAC8FYNALDH1A1MEN1
SCHEMBL397150 0.84 ALDH1A1 (0.44) HDAC4HDAC8ALDH1A1PTGS1SMN1; SMN2
SCHEMBL84033 0.84 PPARG (0.53) HDAC4HDAC8LMNAALDH1A1KMT2A
SCHEMBL18084776 0.83 CASR (0.46) HDAC4HDAC8LMNAFYNERN1
SCHEMBL16712942 0.83 BACE1 (0.46) HDAC4HDAC8FYNALDH1A1MEN1
SCHEMBL16712950 0.82 CTSA (0.48) HDAC4HDAC8FYNERN1CETP
SCHEMBL16712954 0.82 ERN1 (0.51) FYNTRPA1PTGS1CACNA1CERN1
SCHEMBL27316386 0.82 SMN1; SMN2 (0.51) FYNALDH1A1SMN1; SMN2POLBMEN1

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