SCHEMBL8941557

SCHEMBL8941557

CS(=O)(=O)c1ccc(Oc2cccc(Oc3cccc(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
NTRK1 P04629 1/20 0.52
NPSR1 Q6W5P4 3/20 0.52
LMNA P02545 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
NR3C1 P04150 1/20 0.48
PGR P06401 1/20 0.48
AR P10275 1/20 0.48
ESR2 Q92731 1/20 0.48
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
SDHB P21912 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46

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
SCHEMBL8941664 0.88 NR3C1 (0.53) MAPTALDH1A1KDM4ENTRK1NPSR1
SCHEMBL8941551 0.83 PTGS2 (0.54) ALDH1A1KDM4ELMNAPGRPTGS1
SCHEMBL8773158 0.83 MAPT (0.65) MAPTALDH1A1KDM4ENTRK1NPSR1
SCHEMBL29607042 0.83 MAPT (0.65) MAPTALDH1A1KDM4ENTRK1NPSR1
SCHEMBL8507695 0.81 MAPT (0.56) MAPTALDH1A1KDM4ENTRK1NPSR1
SCHEMBL31287948 0.80 ALDH1A1 (0.57) MAPTALDH1A1KDM4ENTRK1NPSR1
SCHEMBL8669831 0.79 ALDH1A1 (0.53) MAPTALDH1A1KDM4ENTRK1NPSR1
SCHEMBL8665226 0.79 SDHB (0.58) MAPTALDH1A1KDM4ENPSR1LMNA
SCHEMBL30702473 0.78 NR3C1 (0.54) MAPTALDH1A1KDM4ENPSR1LMNA
SCHEMBL8855050 0.78 NR3C1 (0.57) ALDH1A1KDM4ENPSR1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480568-A FOR LUBRICATING METAL CONTAINING SURFACES THE DOW CHEMICAL COMPANY (US) 1996-01-02 US claimed
US-5480568-A FOR LUBRICATING METAL CONTAINING SURFACES THE DOW CHEMICAL COMPANY (US) 1996-01-02 US disclosed