SCHEMBL9319368

SCHEMBL9319368

CCOC(=O)C(c1ccc(OC)cc1)N(C)C(=O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
IDO1 P14902 1/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 1/20 0.40

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
SCHEMBL9319040 0.92 CYP3A4 (0.46) KMT2AALDH1A1HTTL3MBTL1TDP1
SCHEMBL9319873 0.90 CYP3A4 (0.45) KMT2AALDH1A1HTTL3MBTL1GABRA2
SCHEMBL9319338 0.84 CCR5 (0.45) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL9318865 0.83 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL9321299 0.81
SCHEMBL9320919 0.80 OPRM1 (0.50) ALDH1A1CYP3A4CYP2C9ERCC1ERCC4
SCHEMBL9319058 0.80 CCR5 (0.45) ALDH1A1HTTL3MBTL1GABRA2GABRB2
SCHEMBL9319066 0.79 L3MBTL1 (0.41) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL9321088 0.75 ERCC1 (0.49) MEN1KMT2AALDH1A1THRBHTT
SCHEMBL9321052 0.75 UTS2R (0.42) MEN1KMT2AALDH1A1HTTCYP3A4

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-5350861-A Insecticides, acaricides, fungicides, antimycotic agents BAYER AKTIENGESELLSCHAFT (DE) 1994-09-27 US disclosed