SCHEMBL6882798

SCHEMBL6882798

CCCc1cccc(O)c1NC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.38
HTR1A P08908 1/20 0.38
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
HTR2A P28223 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL8077425 0.90 TYR (0.45) IAPPELANECTSGBIDMCL1
SCHEMBL6885297 0.85 IAPP (0.36) IAPPHTR1AELANECTSGBID
SCHEMBL2549995 0.82 ELANE (0.34) ELANEGABRA1GABRB2
SCHEMBL6885044 0.76 TYR (0.41) IAPPELANECTSGBIDMCL1
SCHEMBL7771772 0.76 TYR (0.41) IAPPELANECTSGBIDMCL1
SCHEMBL7772060 0.73 GABRA1 (0.41) IAPPELANEBIDMCL1BCL2L1
SCHEMBL28648810 0.73 IDO1 (0.40) BIDMCL1BCL2L1BAK1IDO1
SCHEMBL31633580 0.73 IAPP (0.41) IAPPHTR1AELANECTSGBID
SCHEMBL31633584 0.73 IAPP (0.41) IAPPHTR1AELANECTSGBID
SCHEMBL8085497 0.72 TYR (0.47) IAPPELANECTSGBIDMCL1

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
EP-1442009-A1 PRODUCTION OF KETO ACIDS Ciba SC Holding AG (CH) 2004-08-04 EP disclosed
WO-2003037846-A1 PRODUCTION OF KETO ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-08 WO disclosed