SCHEMBL10014264

SCHEMBL10014264

Cc1ccc(C2OCC(C3CCC(C)CC3)CO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
ESR2 Q92731 1/20 0.34
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
RAB9A P51151 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.30
ALOX12 P18054 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLC18A3 Q16572 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL10311704 0.95 RAB9A (0.35) PKMNPSR1LMNATP53ESR2
SCHEMBL9556482 0.85 ESR2 (0.33) ESR2ATMMEN1KMT2ACYP2C19
SCHEMBL9556478 0.85 ESR2 (0.33) ESR2ATMMEN1KMT2ACYP2C19
SCHEMBL10013942 0.82 KDM1A (0.38) LMNAMAPTMEN1KMT2A
SCHEMBL21654545 0.82 PKM (0.33) PKMNPSR1LMNATP53MAPT
SCHEMBL12918619 0.81 MAPT (0.38) PKMNPSR1LMNATP53MAPT
SCHEMBL12754471 0.81 MAPT (0.38) PKMNPSR1LMNATP53MAPT
SCHEMBL10640258 0.80 CYP2C9 (0.38) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL10640266 0.80 CYP2C9 (0.38) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL10640260 0.80 CYP2C9 (0.38) LMNAMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238775-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2016-01-19 US disclosed
US-20130208227-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
WO-2012052100-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-04-26 WO disclosed