SCHEMBL9851003

SCHEMBL9851003

COC(=O)c1cccc(Cc2ccccc2NCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
KDM4E B2RXH2 1/20 0.44
SOAT2 O75908 2/20 0.43
SOAT1 P35610 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LPAR1 Q92633 1/20 0.42
HIF1A Q16665 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
SLC7A5 Q01650 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
SCHEMBL9850989 0.90 KMT2A (0.47) KMT2AMEN1KDM4ESOAT2SOAT1
SCHEMBL9851046 0.81 KMT2A (0.49) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL9850979 0.81 NLRP3 (0.43) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL9679584 0.73 KMT2A (0.51) KMT2AMEN1KDM4ELMNASMN1; SMN2
SCHEMBL9851069 0.69 LOXL2 (0.61) ALDH1A1KDM4ELOXL2SMN1; SMN2HIF1A
SCHEMBL307687 0.69 LOXL2 (0.61) ALDH1A1KMT2AMEN1KDM4ELOXL2
SCHEMBL1458108 0.69 LOXL2 (0.57) ALDH1A1KMT2AMEN1KDM4ELOXL2
SCHEMBL9680238 0.69 SOAT2 (0.52) KMT2AMEN1KDM4ESOAT2SOAT1
SCHEMBL2069334 0.68 LOXL2 (0.68) ALDH1A1KDM4ELOXL2LMNASMN1; SMN2
SCHEMBL13822327 0.68 MRGPRX4 (0.55) ALDH1A1KMT2AMEN1KDM4ELOXL2

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
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP claimed
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP disclosed