SCHEMBL14767249

SCHEMBL14767249

C=CCCOc1ccc(C(=O)OC2CCC(c3ccc(C4CCC(OCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.34
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ KCNQ3 O43525 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SERPINE1 P05121 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ NTSR1 P30989 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ LSS P48449 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ HCRTR2 O43614 3/20 0.31

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
SCHEMBL14766823 0.94 SCN9A (0.38) KMT2ATHRATHRBSCN9AKCNQ3
SCHEMBL12741155 0.93 KMT2A (0.34) KMT2ATHRATHRBSCN9AKCNQ3
SCHEMBL14766783 0.92 KDM4E (0.38) KMT2ATHRATHRBKCNQ3KCNQ2
SCHEMBL14767022 0.91 THRA (0.38) KMT2ATHRATHRBSCN9AKCNQ3
SCHEMBL12823872 0.89 IDO1 (0.32) KMT2AKCNQ3KCNQ2KDM4ECYP2D6
SCHEMBL14767210 0.89 KCNQ3 (0.41) KMT2ATHRATHRBKCNQ3KCNQ2
SCHEMBL12741160 0.89 KDM4E (0.34) KMT2ATHRATHRBSCN9AKDM4E
SCHEMBL12823631 0.88 IDO1 (0.32) KMT2ATHRATHRBSCN9AKCNQ3
SCHEMBL14767060 0.88 FFAR4 (0.35) FFAR4HCRTR2
SCHEMBL12741407 0.88 SCN1A (0.34) KMT2AFFAR4

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
Send feedback