SCHEMBL11042015

SCHEMBL11042015

COc1cc(Cl)c(C)c2c1NC(=O)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 10/20 0.46
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR5A P47898 1/20 0.43
DNMT1 P26358 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.37
RAB9A P51151 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HSP90AA1 P07900 2/20 0.37
MAPK1 P28482 2/20 0.37
CACNA1B Q00975 2/20 0.37
APBA1 Q02410 2/20 0.37
APOBEC3G Q9HC16 2/20 0.37
KDM4E B2RXH2 1/20 0.37
S1PR4 O95977 1/20 0.37
G6PD P11413 1/20 0.37
S1PR1 P21453 1/20 0.37

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
SCHEMBL15859712 0.83 CES1 (0.41) CES1DNMT1L3MBTL1CDK4CCNA2
SCHEMBL15859731 0.81 ALDH1A1 (0.42) CES1L3MBTL1MAPTCDK4CCNA2
SCHEMBL15859690 0.81 CES1 (0.46) CES1DNMT1L3MBTL1MAPTRAB9A
SCHEMBL5739012 0.79 CES1 (0.49) CES1DNMT1L3MBTL1MAPTRAB9A
SCHEMBL25647619 0.77 CES1 (0.45) CES1DNMT1L3MBTL1CDK4CCNA2
SCHEMBL1571412 0.77 CES1 (0.65) CES1HTR2CDNMT1L3MBTL1MAPT
SCHEMBL1570751 0.76 GSK3B (0.40) CES1DNMT1L3MBTL1MAPTRAB9A
SCHEMBL27785444 0.75 MEN1 (0.41) CES1L3MBTL1MAPTRAB9AKDM4E
SCHEMBL31727933 0.74 CES1 (0.46) CES1DNMT1L3MBTL1MAPTRAB9A
SCHEMBL5866543 0.74 ALDH1A1 (0.46) CES1L3MBTL1CDK4CCNA2CCND1

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-4436810-A Color-photographic recording material containing non-diffusing electron donor precursor compounds AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1984-03-13 US disclosed