SCHEMBL9841541

SCHEMBL9841541

CCCCCc1ccc(C(=O)Oc2ccc(S(F)(F)(F)(F)F)c(F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PRSS1 P07477 1/20 0.46
ACR P10323 1/20 0.46
THRB P10828 7/20 0.45
RARB P10826 8/20 0.45
THRA P10827 6/20 0.43
RARA P10276 2/20 0.42
RARG P13631 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9841931 0.99 PRSS1 (0.47) MAPTSMN1; SMN2PRSS1ACRTHRB
SCHEMBL9841905 0.99 PRSS1 (0.47) MAPTSMN1; SMN2PRSS1ACRTHRB
SCHEMBL9841910 0.99 PRSS1 (0.47) MAPTSMN1; SMN2PRSS1ACRTHRB
SCHEMBL9841677 0.96 MAPT (0.43) MAPTSMN1; SMN2PRSS1ACRTHRB
SCHEMBL9841588 0.92 MAPT (0.44) MAPTSMN1; SMN2PRSS1ACRTHRB
SCHEMBL9841817 0.88 RXRA (0.40) MAPTPRSS1THRBMEN1ALDH1A1
SCHEMBL9841385 0.87 MAPT (0.46) MAPTSMN1; SMN2PRSS1ACRTHRB
SCHEMBL9841548 0.87 LMNA (0.55) MAPTSMN1; SMN2PRSS1ACRRARB
SCHEMBL9841274 0.87 MAPT (0.53) MAPTSMN1; SMN2PRSS1ACRRARB
SCHEMBL9841186 0.86 MAPT (0.45) MAPTSMN1; SMN2PRSS1ACRTHRB

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