SCHEMBL11675554

SCHEMBL11675554

O=C(O)CCNC(=O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.62
PPARA Q07869 1/20 0.62
HDAC1 Q13547 3/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC2 Q92769 1/20 0.60
NR1H4 Q96RI1 2/20 0.58
EPHX2 P34913 1/20 0.58
CDK4 P11802 1/20 0.56
CCND1 P24385 1/20 0.56
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
LMNA P02545 1/20 0.54
CFD P00746 1/20 0.54
PRSS1 P07477 1/20 0.53
CTSG P08311 1/20 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
SCHEMBL9717417 0.88 ITGB3 (0.65) PPARGHDAC1HDAC8HDAC2SMN1; SMN2
Betamipron SCHEMBL605899 0.84 PRSS1 (0.70) HDAC1HDAC8HDAC2EPHX2HPGD
Betamipron SCHEMBL4498475 0.84 PRSS1 (0.70) HDAC1HDAC8HDAC2EPHX2HPGD
SCHEMBL18759318 0.84 CFD (0.61) PPARGPPARAHDAC1HDAC8HDAC2
SCHEMBL12757516 0.84 HDAC8 (0.60) PPARGPPARAHDAC1HDAC8HDAC2
SCHEMBL1927120 0.84 L3MBTL1 (0.67) HDAC1HDAC8HDAC2NR1H4EPHX2
SCHEMBL26568779 0.83 HPGD (0.74) HDAC1HDAC8HDAC2NR1H4EPHX2
SCHEMBL38652196 0.83 HDAC1 (0.59) PPARGPPARAHDAC1HDAC8HDAC2
SCHEMBL3197946 0.82 KDM4E (0.59) HDAC1HDAC8HDAC2HPGDKDM4E
SCHEMBL1925893 0.81 SMN1; SMN2 (0.77) PPARGPPARAHDAC1HDAC8HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4016287-A COSMETIC AND ANTIINFLAMMATORY BOEHRINGER INGELHEIM GMBH (DT) 1977-04-05 US disclosed