SCHEMBL17040432

SCHEMBL17040432

CCCCC(CCC)OC(=O)C1CCC(C2CCC(C)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
CTSK P43235 2/20 0.38
TP53 P04637 1/20 0.31
POLB P06746 2/20 0.30
CNR1 P21554 1/20 0.30
DAGLA Q9Y4D2 1/20 0.30
DPP4 P27487 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCD Q05655 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
METAP1 P53582 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
SCHEMBL9876145 0.84 CTSK (0.40) EPHX2CTSKTP53PRKCAPRKCD
SCHEMBL18509372 0.81 TP53 (0.46) EPHX2CTSKTP53POLBCNR1
SCHEMBL14175871 0.77 TP53 (0.36) TP53POLBMEN1MAPTKMT2A
SCHEMBL27626107 0.77 EPHX2 (0.39) EPHX2CTSKCNR1DAGLAMAPT
SCHEMBL5364963 0.77 EPHX2 (0.39) EPHX2CTSKCNR1DAGLAMAPT
SCHEMBL5371935 0.76 PRKCA (0.41) EPHX2CTSKPRKCAPRKCDMAPT
SCHEMBL30272012 0.75 EPHX2 (0.47) EPHX2CTSKCNR1DAGLAPRKCA
SCHEMBL27300462 0.75 SMN1; SMN2 (0.43) EPHX2CTSKMEN1KMT2A
SCHEMBL12588856 0.74 TSHR (0.34) TP53POLBMEN1MAPTKMT2A
SCHEMBL5371355 0.73 EPHX2 (0.37) EPHX2CTSKTP53CNR1DAGLA

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
US-20150240157-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-08-27 US disclosed