SCHEMBL28690246

SCHEMBL28690246

O=C(O)CCCc1ccc(Nc2cccc3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
CDC25B P30305 1/20 0.55
ATM Q13315 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53

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
SCHEMBL28736831 0.82 ALDH1A1 (0.70) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL29635041 0.82 ALDH1A1 (0.70) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL28857667 0.80 HPGD (0.57) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL6314923 0.80 CYP1A2 (0.58) CYP1A2CYP2C19ALDH1A1TP53CYP3A4
SCHEMBL110264 0.78 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL293780 0.78 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL29382146 0.78 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL1705432 0.78 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL294932 0.78 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL14707939 0.77 HPGD (0.61) ALDH1A1TP53CYP3A4HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105517-B Polycarboxylic acid high-performance water reducing agent 福州创先工程材料有限公司 2022-07-15 CN claimed
CN-114105517-A Polycarboxylic acid high-performance water reducing agent 福州创先工程材料有限公司 2022-03-01 CN claimed
CN-114180933-B Quick pavement repairing material 福州创先工程材料有限公司 2022-07-19 CN disclosed
CN-114105517-B Polycarboxylic acid high-performance water reducing agent 福州创先工程材料有限公司 2022-07-15 CN disclosed
CN-114180933-A Quick pavement repairing material 福州创先工程材料有限公司 2022-03-15 CN disclosed
CN-114105517-A Polycarboxylic acid high-performance water reducing agent 福州创先工程材料有限公司 2022-03-01 CN disclosed