SCHEMBL28019646

SCHEMBL28019646

CC(C)C(=O)c1cccc2c1Sc1ccccc1O2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.35
PDK2 Q15119 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 2/20 0.33
NSD2 O96028 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL27924285 0.84 ALOX5 (0.38) P2RX4KDM4EALDH1A1NPSR1MEN1
SCHEMBL7790465 0.83 ALOX5 (0.36) P2RX4KDM4EALDH1A1NPSR1MEN1
SCHEMBL6450659 0.81 TRPA1 (0.42) KDM4EALDH1A1ALOX5CYP2C9HPGD
SCHEMBL30445395 0.79 BCHE (0.42) ALDH1A1NPSR1MEN1KMT2ACYP2C9
SCHEMBL9495694 0.79 ALOX5 (0.51) P2RX4KDM4EALDH1A1KMT2AALOX5
SCHEMBL706922 0.79 ALOX5 (0.38) P2RX4KDM4EALDH1A1NPSR1MEN1
SCHEMBL11825239 0.79 ALOX5 (0.38) P2RX4KDM4EALDH1A1NPSR1MEN1
SCHEMBL28049446 0.77 LMNA (0.38) P2RX4KDM4EALDH1A1NPSR1MEN1
SCHEMBL9496241 0.76 TSHR (0.53) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL1627755 0.73 MAOA (0.44) ALDH1A1NPSR1

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-105384911-B Reactive epoxy carboxylic acids' ester compounds and hardening thing containing the resin combination of the compound and the resin combination 日本化药株式会社 2018-09-04 CN disclosed
CN-107298753-A Reactive epoxy carboxylic acids' ester compounds, reactive polycarboxylic compounds' resin combination, hardening thing and article 日本化药株式会社 2017-10-27 CN disclosed
CN-105968001-A Carboxyl-containing reactive compound, hardened resin composition using same, and hardened substance 日本化药株式会社 2016-09-28 CN disclosed
CN-104820342-A Photosensitive resin composition for light shielding film and cured product using the same NIPPON STEEL & SUMIKIN CHEM CO 2015-08-05 CN disclosed