SCHEMBL9206182

SCHEMBL9206182

CCOC(=O)C(=CNc1c[nH]c(C)c1C(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
DHODH Q02127 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
NPSR1 Q6W5P4 4/20 0.45
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 5/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 4/20 0.41
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9209962 0.88 GAA (0.52) GAADHODHMEN1KMT2ACYP3A4
SCHEMBL1567868 0.74 SMN1; SMN2 (0.44) GAANPSR1ALDH1A1KDM4ELMNA
SCHEMBL9201090 0.72 HTT (0.39) NPSR1ALDH1A1LMNAMAPTCYP2C19
SCHEMBL6311447 0.72 HTT (0.40) NPSR1LMNACYP2C19
SCHEMBL9203467 0.72 HTT (0.46) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7474279 0.70 KMT2A (0.51) GAADHODHMEN1KMT2ACYP3A4
SCHEMBL2116283 0.69 DHODH (0.57) GAADHODHMEN1KMT2ACYP3A4
SCHEMBL23727393 0.67 MEN1 (0.46) GAADHODHMEN1KMT2ACYP3A4
SCHEMBL10862764 0.67 MEN1 (0.71) GAADHODHMEN1KMT2ACYP3A4
SCHEMBL10511749 0.66 MEN1 (0.58) GAADHODHMEN1KMT2ACYP3A4

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-0390739-B1 Substituted aminopyrroles as stabilisers in chlorinated polymers CIBA GEIGY AG (CH) 1995-08-09 EP disclosed
US-5155152-A SUBSTITUTE AMINOPYRROLES AS STABILIZERS FOR CHLORINE-CONTAINING POLYMERS CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed