SCHEMBL9841274

SCHEMBL9841274

CCCCOc1ccc(C(=O)Oc2ccc(S(F)(F)(F)(F)F)c(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 4/20 0.51
NPC1 O15118 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
PRSS1 P07477 1/20 0.51
ACR P10323 1/20 0.51
NFKB1 P19838 3/20 0.50
NFKB2 Q00653 3/20 0.50
RELA Q04206 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.45
PLA2G4B P0C869 2/20 0.44
POLB P06746 1/20 0.44
RARB P10826 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
SCHEMBL9841548 0.98 LMNA (0.55) MAPTKMT2ALMNANPC1CYP1A2
SCHEMBL9841460 0.96 NPC1 (0.56) MAPTKMT2ALMNANPC1CYP1A2
SCHEMBL9841437 0.90 KMT2A (0.50) MAPTKMT2ALMNANPC1PLA2G4B
SCHEMBL9841677 0.88 MAPT (0.43) MAPTKMT2ALMNANPC1CYP1A2
SCHEMBL9841541 0.87 MAPT (0.47) MAPTKMT2APRSS1ACRSMN1; SMN2
SCHEMBL9841279 0.86 MAPT (0.52) MAPTKMT2ALMNANPC1CYP1A2
SCHEMBL9841910 0.86 PRSS1 (0.47) MAPTKMT2APRSS1ACRSMN1; SMN2
SCHEMBL9841905 0.86 PRSS1 (0.47) MAPTKMT2APRSS1ACRSMN1; SMN2
SCHEMBL9841931 0.86 PRSS1 (0.47) MAPTKMT2APRSS1ACRSMN1; SMN2
SCHEMBL9841817 0.86 RXRA (0.40) MAPTKMT2ALMNANPC1PRSS1

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