SCHEMBL28022148

SCHEMBL28022148

CSc1cccc(CCOC(C)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TYR P14679 1/20 0.40
RECQL P46063 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL12319880 0.84 ALDH1A1 (0.58) MAPTALDH1A1MEN1KMT2ARECQL
SCHEMBL28062463 0.84 PPARG (0.42) ALDH1A1TYRPPARGPPARACA12
SCHEMBL11200803 0.79 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2ARECQL
SCHEMBL1560391 0.79 CYP4F2 (0.53) ALDH1A1TYRCA12CA1CA4
SCHEMBL27637243 0.79 ALDH1A1 (0.46) ALDH1A1TYRCA12CA1CA4
SCHEMBL1992145 0.79 CYP4F2 (0.53) ALDH1A1TYRCA12CA1CA4
SCHEMBL13034103 0.79 ALOX5 (0.53) ALDH1A1CA12CA1CA4CA6
SCHEMBL27608519 0.79 TYR (0.61) ALDH1A1TYRCA12CA1CA4
SCHEMBL28201295 0.78 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2NPC1TP53MAPK1
SCHEMBL17420467 0.78 ALDH1A1 (0.44) ALDH1A1TYRSMN1; SMN2CA12CA1

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
CN-104812756-A Multiple kinase pathway inhibitors MANNKIND CORP 2015-07-29 CN disclosed