SCHEMBL9761956

SCHEMBL9761956

CCCCCCCC1CCC(C2CCC(c3ccc(CC(F)(F)F)cc3)CC2)CC1.CCCCCCCCC1CCC(C2CCC(c3ccc(CC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.48
SPHK2 Q9NRA0 7/20 0.42
CYP2C9 P11712 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL9314397 1.00 SPHK1 (0.48) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL9314290 1.00 SPHK1 (0.48) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL9313550 1.00 SPHK1 (0.48) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL9314660 1.00 SPHK1 (0.48) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL9313561 1.00 SPHK1 (0.48) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL9314814 1.00 SPHK1 (0.48) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL9314667 1.00 SPHK1 (0.48) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL9314795 1.00 SPHK1 (0.48) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL9314377 1.00 SPHK1 (0.48) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL9314808 1.00 SPHK1 (0.48) SPHK1SPHK2CYP2C9MAPTALDH1A1

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-0425622-A1 MESOGENIC COMPOUNDS. MERCK PATENT GMBH (DE) 1991-05-08 EP disclosed