SCHEMBL9841888

SCHEMBL9841888

CCCc1ccc(C(=O)Oc2ccc(S(F)(F)(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
THRB P10828 3/20 0.43
KMT2A Q03164 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
ALOX5 P09917 1/20 0.40
PRSS1 P07477 5/20 0.39

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
SCHEMBL9841344 0.93 MAPT (0.43) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL9841385 0.92 MAPT (0.46) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL9842076 0.91 RXRA (0.40) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL9841696 0.91 MAPT (0.45) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL9841391 0.91 MAPT (0.45) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL9841186 0.91 MAPT (0.45) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL9841588 0.86 MAPT (0.44) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL9841279 0.85 MAPT (0.52) MAPTSMN1; SMN2NPC1KMT2APOLB
SCHEMBL9841657 0.85 MAPT (0.46) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL9841573 0.85 KMT2A (0.49) MAPTNPC1THRBKMT2AGAA

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