SCHEMBL9841910

SCHEMBL9841910

CCCCCCCCc1ccc(C(=O)Oc2ccc(S(F)(F)(F)(F)F)c(F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
RARB P10826 7/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 8/20 0.45
THRA P10827 7/20 0.45
RARA P10276 2/20 0.44
RARG P13631 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MTOR P42345 1/20 0.43
FAAH O00519 1/20 0.42
PLK1 P53350 1/20 0.42
PLK3 Q9H4B4 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
SCHEMBL9841905 1.00 PRSS1 (0.47) PRSS1ACRRARBMAPTSMN1; SMN2
SCHEMBL9841931 1.00 PRSS1 (0.47) PRSS1ACRRARBMAPTSMN1; SMN2
SCHEMBL9841541 0.99 MAPT (0.47) PRSS1ACRRARBMAPTSMN1; SMN2
SCHEMBL9841677 0.95 MAPT (0.43) PRSS1ACRRARBMAPTSMN1; SMN2
SCHEMBL9841588 0.91 MAPT (0.44) PRSS1ACRMAPTSMN1; SMN2THRB
SCHEMBL9841186 0.88 MAPT (0.45) PRSS1ACRRARBMAPTSMN1; SMN2
SCHEMBL9841391 0.88 MAPT (0.45) PRSS1ACRRARBMAPTSMN1; SMN2
SCHEMBL9841696 0.88 MAPT (0.45) PRSS1ACRRARBMAPTSMN1; SMN2
SCHEMBL9841460 0.87 NPC1 (0.56) PRSS1ACRRARBMAPTSMN1; SMN2
SCHEMBL9841817 0.87 RXRA (0.40) PRSS1MAPTTHRBMEN1KMT2A

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