SCHEMBL9185192

SCHEMBL9185192

CCCCC[C@H]1CC[C@H](CCCOc2ccc(C#N)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
GPR119 Q8TDV5 1/20 0.40
PLA2G7 Q13093 3/20 0.40
PTGES O14684 1/20 0.38
TBXAS1 P24557 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CHEK1 O14757 1/20 0.37
CRBN Q96SW2 1/20 0.37
KDM1A O60341 1/20 0.37
CNR2 P34972 1/20 0.36
AR P10275 3/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL9185198 1.00 TRPV4 (0.42) TRPV4CYP11B1CYP11B2GPR119PLA2G7
SCHEMBL9349206 0.99 TRPV4 (0.41) TRPV4CYP11B1CYP11B2GPR119PLA2G7
SCHEMBL9589888 0.99 TRPV4 (0.41) TRPV4CYP11B1CYP11B2GPR119PLA2G7
SCHEMBL9349103 0.99 TRPV4 (0.41) TRPV4CYP11B1CYP11B2GPR119PLA2G7
SCHEMBL9346478 0.99 TRPV4 (0.41) TRPV4CYP11B1CYP11B2GPR119PLA2G7
SCHEMBL9346370 0.99 TRPV4 (0.41) TRPV4CYP11B1CYP11B2GPR119PLA2G7
SCHEMBL9344960 0.99 TRPV4 (0.41) TRPV4CYP11B1CYP11B2GPR119PLA2G7
SCHEMBL9591934 0.99 TRPV4 (0.41) TRPV4CYP11B1CYP11B2GPR119PLA2G7
SCHEMBL9590952 0.99 TRPV4 (0.41) TRPV4CYP11B1CYP11B2GPR119PLA2G7
SCHEMBL9591456 0.99 TRPV4 (0.41) TRPV4CYP11B1CYP11B2GPR119PLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0423520-B1 Liquid crystalline composition for the use in a twisted nematic cell MERCK PATENT GMBH (DE) 1995-08-02 EP disclosed
EP-0344557-B1 Liquid crystal components with a trimethylenoxy group HOFFMANN LA ROCHE (CH) 1994-08-10 EP disclosed
US-5238600-A IBIMETHYLENOXY CONTAINING LIQUID CRYSTAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 1993-08-24 US disclosed
EP-0423520-A2 Liquid crystalline composition for the use in a twisted nematic cell MERCK PATENT GmbH (DE) 1991-04-24 EP disclosed
EP-0344557-A2 Liquid crystal components with a trimethylenoxy group F. HOFFMANN-LA ROCHE AG (CH) 1989-12-06 EP disclosed