SCHEMBL9710334

SCHEMBL9710334

C#Cc1ccc(OCCCCCCC)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
S1PR3 Q99500 4/20 0.47
S1PR1 P21453 3/20 0.47
S1PR2 O95136 1/20 0.47
LPAR2 Q9HBW0 1/20 0.47
CHUK O15111 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
PIM1 P11309 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
BLK P51451 1/20 0.42
RPS6KA3 P51812 1/20 0.42

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
SCHEMBL9710129 1.00 THRA (0.48) THRATHRBS1PR3S1PR1S1PR2
SCHEMBL9162635 1.00 THRA (0.48) THRATHRBS1PR3S1PR1S1PR2
SCHEMBL8751877 1.00 THRA (0.48) THRATHRBS1PR3S1PR1S1PR2
SCHEMBL9850712 1.00 THRA (0.48) THRATHRBS1PR3S1PR1S1PR2
SCHEMBL8751831 1.00 THRA (0.48) THRATHRBS1PR3S1PR1S1PR2
SCHEMBL9710151 1.00 THRA (0.48) THRATHRBS1PR3S1PR1S1PR2
SCHEMBL8751956 1.00 THRA (0.48) THRATHRBS1PR3S1PR1S1PR2
SCHEMBL8751862 1.00 THRA (0.48) THRATHRBS1PR3S1PR1S1PR2
SCHEMBL8751865 1.00 THRA (0.48) THRATHRBS1PR3S1PR1S1PR2
SCHEMBL29200029 0.89 MAPT (0.40) THRATHRBS1PR3S1PR1S1PR2

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-0518636-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-16 EP disclosed