SCHEMBL21738352

SCHEMBL21738352

CC1=CC(=O)N(Cc2cccc(CN3C(=O)CC(C)C3=O)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MT-CO2 P00403 2/20 0.40
ALOX5 P09917 2/20 0.40
ALDH1A1 P00352 6/20 0.39
POLB P06746 1/20 0.39
GAA P10253 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
STAT6 P42226 1/20 0.39
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
RGS4 P49798 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
ALOX15 P16050 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 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
SCHEMBL7924339 0.87 KMT2A (0.50) KMT2AMT-CO2ALOX5ALDH1A1POLB
SCHEMBL168682 0.84 RGS4 (0.49) KMT2AALDH1A1POLBHPGDRGS4
SCHEMBL8487839 0.76 KMT2A (0.62) KMT2AMT-CO2ALOX5ALDH1A1POLB
SCHEMBL13898851 0.76 KMT2A (0.62) KMT2AMT-CO2ALOX5ALDH1A1POLB
SCHEMBL907301 0.73 RGS4 (0.64) KMT2AALDH1A1HPGDRGS4MEN1
SCHEMBL21823219 0.73 RGS4 (0.40) KMT2AALDH1A1POLBHPGDRGS4
SCHEMBL2020394 0.72 HCRTR1 (0.47) KMT2AMT-CO2ALOX5ALDH1A1GAA
SCHEMBL1133156 0.71 MGLL (0.50) RGS4
SCHEMBL28680391 0.70 KMT2A (0.41) KMT2AALDH1A1POLBGAACYP2C9
SCHEMBL29386098 0.70 KMT2A (0.41) KMT2AALDH1A1POLBGAACYP2C9

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
US-11230636-B2 Rubber composition having improved properties in the raw state and in the cooked state COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2022-01-25 US disclosed
US-20200056017-A1 RUBBER COMPOSITION HAVING IMPROVED PROPERTIES IN THE RAW STATE AND IN THE COOKED STATE COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2020-02-20 US disclosed