SCHEMBL7657146

SCHEMBL7657146

COc1cc(C)c(N(C(=O)O)C(C)(C)C)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 3/20 0.39
CYP3A4 P08684 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ABCC4 O15439 1/20 0.36
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
ABCB1 P08183 1/20 0.34
IMPDH2 P12268 1/20 0.34
ALOX5 P09917 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33

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
SCHEMBL7665776 0.73 PTPN1 (0.33) HPGDALDH1A1IMPDH2
SCHEMBL2548075 0.71 MAOA (0.38) MEN1KMT2AMAPTCYP3A4SMN1; SMN2
SCHEMBL7413781 0.70 CA12 (0.43) MEN1KMT2AMAPTPOLBHPGD
SCHEMBL8802786 0.68 ALDH1A1 (0.38) MEN1KMT2AHPGDNPSR1ALDH1A1
SCHEMBL31638876 0.68 CYP3A4 (0.63) MEN1KMT2AMAPTCYP3A4POLB
SCHEMBL5655590 0.67 CA12 (0.43) MEN1KMT2AMAPTPOLBHPGD
SCHEMBL7410941 0.67 HTT (0.45) MEN1KMT2AMAPTCYP3A4POLB
SCHEMBL1817120 0.67 HTR7 (0.31)
SCHEMBL2548460 0.67 LMNA (0.43) MEN1KMT2AMAPTCYP3A4NPSR1
SCHEMBL7412320 0.67 HTT (0.43) MEN1KMT2APOLBHPGDALDH1A1

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-6479536-B1 Benzofuran derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-12 US disclosed