SCHEMBL9406780

SCHEMBL9406780

CC[C@H]1CO[C@H](c2cc(F)c(C#N)c(F)c2)OC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.37
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL9406783 1.00 TRPV4 (0.37) TRPV4CYP11B1CYP11B2KDM4ELMNA
SCHEMBL9406909 0.89 TRPV4 (0.32) TRPV4
SCHEMBL9406904 0.89 TRPV4 (0.32) TRPV4
SCHEMBL9406939 0.88 TRPV4 (0.35) TRPV4CYP11B1CYP11B2KDM4E
SCHEMBL9406947 0.88 TRPV4 (0.35) TRPV4CYP11B1CYP11B2KDM4E
SCHEMBL9407014 0.86 TRPV4 (0.32) TRPV4
SCHEMBL9407010 0.86 TRPV4 (0.32) TRPV4
SCHEMBL9859942 0.86 TRPV4 (0.33) TRPV4CYP11B1CYP11B2
SCHEMBL9406809 0.86 TRPV4 (0.33) TRPV4CYP11B1CYP11B2
SCHEMBL9406851 0.85 ALDH1A1 (0.33) TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354502-A Very large dielectric anisotropy and small birefringence SEIKO EPSON CORPORATION (JP) 1994-10-11 US disclosed
EP-0447565-A1 1,3-DIOXANE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME SEIKO EPSON CORPORATION (JP) 1991-09-25 EP disclosed