SCHEMBL9841817

SCHEMBL9841817

CCc1ccc(C(=O)Oc2ccc(S(F)(F)(F)(F)F)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36

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
SCHEMBL9841588 0.91 MAPT (0.44) ALDH1A1MAPTLMNAKMT2AGAA
SCHEMBL9841677 0.89 MAPT (0.43) MAPTLMNAKMT2APRSS1NPC1
SCHEMBL9841437 0.88 KMT2A (0.50) ALDH1A1MAPTLMNAKMT2AHPGD
SCHEMBL9841541 0.88 MAPT (0.47) ALDH1A1MAPTKMT2AMEN1PRSS1
SCHEMBL9841931 0.87 PRSS1 (0.47) ALDH1A1MAPTKMT2AMEN1PRSS1
SCHEMBL9841910 0.87 PRSS1 (0.47) ALDH1A1MAPTKMT2AMEN1PRSS1
SCHEMBL9841905 0.87 PRSS1 (0.47) ALDH1A1MAPTKMT2AMEN1PRSS1
SCHEMBL9841274 0.86 MAPT (0.53) TP53MAPTLMNAKMT2ATSHR
SCHEMBL9842076 0.85 RXRA (0.40) RXRARXRBTP53ALDH1A1MAPT
SCHEMBL9841548 0.84 LMNA (0.55) TP53MAPTLMNAKMT2ATSHR

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