SCHEMBL28040528

SCHEMBL28040528

CCC(C)(Cc1scc2ccccc12)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
PARP10 Q53GL7 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
HPGD P15428 2/20 0.31
NCEH1 Q6PIU2 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CDC25B P30305 1/20 0.31

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
Quinoline SCHEMBL28040530 0.89 ALDH1A1 (0.37) MAPTALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL28040031 0.87 PPARA (0.40) PPARGPPARAMAPTALDH1A1KDM4E
SCHEMBL28040727 0.82 SMN1; SMN2 (0.36) MAPTALDH1A1HSD17B10KMT2AL3MBTL1
SCHEMBL28040531 0.74 CCR4 (0.32) PPARGPPARAL3MBTL1
SCHEMBL28040533 0.73 KMT2A (0.47) MAPTALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL28040537 0.73 PPARA (0.38) PPARGPPARAALDH1A1KDM4EHSD17B10
SCHEMBL1395762 0.72 MAPT (0.38) MAPTTHRBALDH1A1KDM4EKMT2A
SCHEMBL29290738 0.71 SMN1; SMN2 (0.48) PPARGPPARAMAPTALDH1A1KMT2A
SCHEMBL2090417 0.69 CYP2A6 (0.38) MAPTALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL28013253 0.69 RIPK1 (0.49) MAPTALDH1A1KDM4EHSD17B10KMT2A

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
CN-105175392-B A kind of carboxylic acid compound containing thiophene-structure and amide compound containing thiophene-structure and preparation method thereof 湖南大学 2019-04-19 CN disclosed
CN-105175392-A Carboxylic acid compounds containing thiophene structures and amide compounds containing thiophene structures and preparation method for carboxylic acid compounds and amide compounds UNIV HUNAN 2015-12-23 CN disclosed