SCHEMBL21321908

SCHEMBL21321908

CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCCOC)CC4)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
SPHK1 Q9NYA1 11/20 0.40
GAA P10253 1/20 0.40
ESR2 Q92731 1/20 0.39
SPHK2 Q9NRA0 7/20 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
SCHEMBL15581305 0.91 RAB9A (0.44) MAPTALDH1A1LMNACYP2C9
SCHEMBL29295195 0.90 S1PR3 (0.46) MAPTALDH1A1LMNACYP2C9SPHK1
SCHEMBL4803851 0.89 CYP2C9 (0.50) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL4803860 0.89 CYP2C9 (0.50) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL12736264 0.89 SPHK1 (0.49) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL10014947 0.89 CYP2C9 (0.43) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL11190177 0.88 SPHK1 (0.50) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL11196951 0.88 SPHK1 (0.50) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL11196945 0.88 SPHK1 (0.50) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL11191523 0.88 SPHK1 (0.50) MAPTALDH1A1LMNACYP2C9MEN1

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-3257839-B1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2019-09-04 EP disclosed