SCHEMBL9684530

SCHEMBL9684530

CCCCNP(=O)(OCC)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 1/20 0.41
MMP2 P08253 1/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH7 P40394 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL474087 0.91 MEN1 (0.44) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL23969048 0.85 MEN1 (0.50) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL13575613 0.85 MEN1 (0.53) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL13433212 0.83 CYP3A4 (0.40) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL13575612 0.82 PPARD (0.45) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL11082215 0.82 TSHR (0.39) TSHRTDP1CYP3A4CA12CA1
SCHEMBL28676330 0.82 MEN1 (0.44) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL18787610 0.81 MMP2 (0.39) TSHRCYP3A4CA12CA1CA2
SCHEMBL10902810 0.80 TP53 (0.44) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL22528291 0.79 CYP3A4 (0.50) TSHRCYP3A4ADH1BADH1CADH1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113801254-B Polypropylene catalyst and preparation method thereof 中国石油天然气股份有限公司 2023-04-07 CN claimed
CN-113801254-A Polypropylene catalyst and preparation method thereof 中国石油天然气股份有限公司 2021-12-17 CN claimed
US-5136006-A Curable acrylic polymers with pendant carbodiimide groups PPG INDUSTRIES, INC. (US) 1992-08-04 US disclosed
US-5105010-A Hardens or cures at low temperatures PPG INDUSTRIES, INC. (US) 1992-04-14 US disclosed