Sugi Predict

Sugi Predict / Compounds / SCHEMBL9624666

SCHEMBL9624666

SCHEMBL9624666

CCCCc1ccc([C@H]2CC[C@H]([C@H]3CC[C@H](C=C(F)F)CC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.50
▸ SPHK2 Q9NRA0 7/20 0.47
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 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
SCHEMBL9624663 1.00 SPHK1 (0.50) SPHK1SPHK2CA1CA2
SCHEMBL9625583 0.96 SPHK1 (0.56) SPHK1SPHK2
SCHEMBL9625586 0.96 SPHK1 (0.56) SPHK1SPHK2
SCHEMBL9625144 0.96 SPHK1 (0.54) SPHK1SPHK2CA1CA2
SCHEMBL9625148 0.96 SPHK1 (0.54) SPHK1SPHK2CA1CA2
SCHEMBL9625365 0.95 SPHK1 (0.58) SPHK1SPHK2
SCHEMBL9625362 0.95 SPHK1 (0.58) SPHK1SPHK2
SCHEMBL9625202 0.95 SPHK1 (0.58) SPHK1SPHK2
SCHEMBL9625197 0.95 SPHK1 (0.58) SPHK1SPHK2
SCHEMBL9625221 0.95 SPHK1 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325796-B1 A LIQUID CRYSTAL COMPOUND AND A MIXTURE CONTAINING THE SAME Chisso Corporation (JP) 1992-03-11 — — EP disclosed
US-4877548-A STABLE TO HEAT, LIGHT, ELECTRICITY AND MOISTURE CHISSO CORPORATION (JP) 1989-10-31 — — US disclosed
EP-0325796-A1 A liquid crystal compound and a mixture containing the same Chisso Corporation (JP) 1989-08-02 — — EP disclosed