SCHEMBL9730323

SCHEMBL9730323

CCCCCCCCCCOC(CC)C(C)O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.44
USP2 O75604 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
HTT P42858 1/20 0.40
CES2 O00748 1/20 0.39
GBA1 P04062 1/20 0.39
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 4/20 0.38
MGAM O43451 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38

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
SCHEMBL9729897 1.00 DNM1 (0.44) DNM1USP2SPHK1HTTCES2
SCHEMBL9730536 1.00 DNM1 (0.44) DNM1USP2SPHK1HTTCES2
SCHEMBL9731464 1.00 DNM1 (0.44) DNM1USP2SPHK1HTTCES2
SCHEMBL9729868 1.00 DNM1 (0.44) DNM1USP2SPHK1HTTCES2
SCHEMBL9730111 0.98 DNM1 (0.41) DNM1USP2SPHK1HTTCES2
SCHEMBL7171050 0.91 TSHR (0.34) DNM1USP2SPHK1MGAM
SCHEMBL11298757 0.84 USP2 (0.56) USP2SPHK1HTTCES2LPAR1
SCHEMBL16475717 0.84 USP2 (0.56) USP2SPHK1HTTCES2LPAR1
SCHEMBL10525652 0.83 DNM1 (0.47) DNM1USP2SPHK1HTTGBA1
SCHEMBL27537259 0.83 DNM1 (0.47) DNM1USP2SPHK1HTTGBA1

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-5167863-A Ferroelectricity; electrooptic switches HITACHI, LTD. (JP) 1992-12-01 US disclosed
EP-0322862-A2 Optically active compounds, their preparation and their use in liquid crystal compositions and liquid crystal optical modulators HITACHI, LTD. (JP) 1989-07-05 EP disclosed