SCHEMBL28088474

SCHEMBL28088474

C=C(C)c1cccc(C(=O)N=C=O)c1C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
EDNRA P25101 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL27533336 0.83 TSHR (0.45) CYP3A4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4743346 0.81 ESR1 (0.42) CYP3A4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9918934 0.78
SCHEMBL28358167 0.75 CA12 (0.41)
SCHEMBL27583571 0.75 ESR1 (0.37) CYP3A4EDNRAKDM4EALDH1A1HPGD
SCHEMBL3395153 0.73 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4936719 0.73 ERCC5 (0.46) HPGD
SCHEMBL34472768 0.72 NR4A1 (0.38) CYP3A4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5597108 0.72 CYP3A4 (0.34) CYP3A4EDNRA
SCHEMBL6424083 0.71 KAT6A (0.41) CYP3A4KDM4EALDH1A1HPGDHSD17B10

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
CN-110922669-A Fireproof and fireproof ceramic polyolefin wire and cable material and preparation method thereof 苏州铂玛新材料有限公司 2020-03-27 CN disclosed
CN-105860295-A Preparation method of low-moisture-absorption polybutylene-based wood-plastic composite floor material 王泽陆 2016-08-17 CN disclosed