SCHEMBL9841344

SCHEMBL9841344

CCCCc1ccc(C(=O)Oc2ccc(S(F)(F)(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CNR2 P34972 1/20 0.42
RARB P10826 1/20 0.40
PLK1 P53350 1/20 0.40
THRB P10828 4/20 0.40
KMT2A Q03164 2/20 0.39
THRA P10827 3/20 0.39
PRSS1 P07477 3/20 0.39
ACR P10323 2/20 0.39
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 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
SCHEMBL9841385 0.97 MAPT (0.46) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL9841696 0.95 MAPT (0.45) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL9841186 0.95 MAPT (0.45) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL9841391 0.95 MAPT (0.45) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL9841888 0.93 MAPT (0.50) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL9842076 0.89 RXRA (0.40) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL9841279 0.88 MAPT (0.52) MAPTSMN1; SMN2NPC1KMT2APRSS1
SCHEMBL9841677 0.87 MAPT (0.43) MAPTSMN1; SMN2NPC1CNR2RARB
SCHEMBL9842417 0.86 LMNA (0.54) MAPTSMN1; SMN2NPC1RARBKMT2A
SCHEMBL9841219 0.85 NPC1 (0.55) MAPTSMN1; SMN2NPC1RARBKMT2A

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