SCHEMBL9841900

SCHEMBL9841900

CCCOc1ccc(C(=O)Oc2ccc(S)c(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
NPC1 O15118 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPT P10636 5/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
PLK1 P53350 1/20 0.47
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL9841908 0.84 MAPT (0.52) LMNANPC1CYP1A2CYP2C19CYP3A4
SCHEMBL10335493 0.83 NPC1 (0.57) LMNANPC1CYP1A2CYP2C19CYP3A4
SCHEMBL9640160 0.83 NPC1 (0.57) LMNANPC1CYP1A2CYP2C19CYP3A4
SCHEMBL9640628 0.83 NPC1 (0.57) LMNANPC1CYP1A2CYP2C19CYP3A4
SCHEMBL9640089 0.83 NPC1 (0.57) LMNANPC1CYP1A2CYP2C19CYP3A4
SCHEMBL9641053 0.83 NPC1 (0.57) LMNANPC1CYP1A2CYP2C19CYP3A4
SCHEMBL9905870 0.81 LMNA (0.65) LMNANPC1CYP1A2CYP2C19CYP3A4
SCHEMBL17515627 0.81 LMNA (0.65) LMNANPC1CYP1A2CYP2C19CYP3A4
SCHEMBL10484072 0.81 MAPT (0.46) LMNANPC1CYP1A2CYP2C19CYP3A4
SCHEMBL8774731 0.81 MAPT (0.57) LMNANPC1CYP1A2CYP2C19CYP3A4

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
US-5055223-A For use in liquid crystal display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 US disclosed