SCHEMBL9850979

SCHEMBL9850979

CCOC(=O)c1ccc(Cc2ccccc2NCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SOAT2 O75908 2/20 0.40
SOAT1 P35610 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 2/20 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
SCHEMBL9851046 0.87 KMT2A (0.49) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL9851003 0.81 ALDH1A1 (0.46) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL9850989 0.79 KMT2A (0.47) KMT2AMEN1KDM4ESMN1; SMN2LMNA
SCHEMBL9681138 0.76 MEN1 (0.53) NLRP3KMT2AMEN1
SCHEMBL2147884 0.68 NLRP3 (0.70) NLRP3KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8689258 0.68 MEN1 (0.61) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL9678682 0.67 LMNA (0.57) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL9679236 0.67 KMT2A (0.52) KMT2AMEN1KDM4ESMN1; SMN2LMNA
SCHEMBL28188485 0.67 NLRP3 (0.81) NLRP3KMT2AMEN1KDM4EALDH1A1
SCHEMBL9680238 0.66 SOAT2 (0.52) KMT2AMEN1KDM4ESMN1; SMN2LMNA

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