SCHEMBL6746557

SCHEMBL6746557

CCCc1ccc(C2CCC(C3CCC(O)CC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.50
SPHK1 Q9NYA1 14/20 0.49
SPHK2 Q9NRA0 7/20 0.43
ALOX5 P09917 1/20 0.40

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
SCHEMBL10883240 0.95 ESR2 (0.55) ESR2SPHK1SPHK2ALOX5
SCHEMBL10883245 0.95 ESR2 (0.55) ESR2SPHK1SPHK2ALOX5
SCHEMBL11066946 0.91 SPHK1 (0.56) SPHK1SPHK2
SCHEMBL10895877 0.91 SPHK1 (0.56) SPHK1SPHK2
SCHEMBL14030486 0.90 ESR2 (0.50) ESR2SPHK1SPHK2
SCHEMBL19721891 0.89 SPHK1 (0.64) ESR2SPHK1SPHK2
SCHEMBL4323763 0.86 SPHK1 (0.61) SPHK1SPHK2
SCHEMBL11828165 0.85 SPHK1 (0.62) ESR2SPHK1SPHK2
SCHEMBL19712025 0.83 SPHK1 (0.69) ESR2SPHK1SPHK2
SCHEMBL9349785 0.83 SPHK1 (0.49) ESR2SPHK1SPHK2

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-6685995-B1 LOW VOLTAGE, WIDE TEMPERATURE RANGE DRIVING; HIGH SPEED RESPONSE CHISSO CORPORATION (JP) 2004-02-03 US disclosed
EP-1053996-A1 ESTER COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORPORATION (JP) 2000-11-22 EP disclosed