SCHEMBL11118749

SCHEMBL11118749

CCC(=O)Nc1ccc(Oc2ccc(OC(F)F)cc2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ESRRA P11474 2/20 0.58
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
HTT P42858 3/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 3/20 0.54
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PNLIP P16233 7/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.48
HTR1E P28566 1/20 0.48
S1PR3 Q99500 1/20 0.48

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
SCHEMBL2171478 0.86 ESRRA (0.64) MAPTESRRACYP3A4TSHRNPSR1
SCHEMBL11120158 0.84 ESRRA (0.61) MAPTESRRAALDH1A1CYP3A4TSHR
SCHEMBL22114325 0.84 ESRRA (0.61) MAPTSMN1; SMN2ESRRAKMT2ACYP3A4
SCHEMBL2170621 0.84 ESRRA (0.71) ESRRAMEN1KMT2ACYP3A4TSHR
SCHEMBL11498106 0.83 CYP3A4 (0.71) MAPTESRRAMEN1KMT2AALDH1A1
SCHEMBL11120090 0.82 ESRRA (0.59) MAPTESRRAMEN1KMT2ACYP3A4
SCHEMBL28909551 0.82 POLB (0.62) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10876617 0.81 MAPT (0.60) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10674801 0.81 MAPT (0.59) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11811909 0.79 POLB (0.50) MAPTNPC1RAB9ASMN1; SMN2MEN1

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
EP-0067381-B1 ANILIDES, PROCESS FOR THEIR PREPARATION AND HERBICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1984-03-21 EP claimed