SCHEMBL20847306

SCHEMBL20847306

C=CCCc1ccc(C2CCC(c3ccc(CC)cc3)CC2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 11/20 0.34
▸ KDM1A O60341 1/20 0.32
▸ SPHK2 Q9NRA0 7/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ FFAR4 Q5NUL3 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
SCHEMBL19624016 0.74 SPHK1 (0.47) SPHK1SPHK2SLC6A3
SCHEMBL12031901 0.74 FFAR4 (0.42) SPHK1SPHK2FFAR4
SCHEMBL1149698 0.72 TAAR1 (0.50) —
SCHEMBL7858884 0.72 FFAR1 (0.44) SPHK1SPHK2FFAR4
SCHEMBL6454338 0.69 SPHK1 (0.32) SPHK1FFAR4
SCHEMBL6454331 0.69 SPHK1 (0.32) SPHK1FFAR4
SCHEMBL6461508 0.69 CYP2C9 (0.32) SPHK1
SCHEMBL6461506 0.69 CYP2C9 (0.32) SPHK1
SCHEMBL6460283 0.69 SPHK1 (0.33) SPHK1SPHK2
SCHEMBL6460278 0.69 SPHK1 (0.33) SPHK1SPHK2

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
EP-2725083-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2019-03-27 — — EP disclosed
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