SCHEMBL10873009

SCHEMBL10873009

CC(=O)c1ccc(C(=O)c2ccc(SC(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.55
LMNA P02545 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 2/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
MAPT P10636 5/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HSD17B1 P14061 1/20 0.39
ELANE P08246 1/20 0.39
HTT P42858 3/20 0.39
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
SRD5A2 P31213 1/20 0.37
PKM P14618 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
SCHEMBL5319294 0.94 HPGD (0.61) HPGDLMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL10871420 0.89 HPGD (0.55) HPGDLMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL10870757 0.89 HPGD (0.73) HPGDLMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL10871883 0.84 HPGD (0.50) HPGDLMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL10870481 0.84 KMT2A (0.66) HPGDLMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL10874045 0.84 HPGD (0.66) HPGDLMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL10872144 0.84 HPGD (0.50) HPGDLMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL11097930 0.83 MAPK1 (0.52) HPGDLMNAALDH1A1MAPK1MAPT
SCHEMBL20082815 0.83 CNR1 (0.46) LMNAALDH1A1MAPK1MAPTRAB9A
SCHEMBL10871424 0.82 LMNA (0.48) HPGDLMNAL3MBTL1ALDH1A1MAPK1

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
EP-0192167-A1 Use of thio-substitued ketones as photoinitiators MERCK PATENT GmbH (DE) 1986-08-27 EP disclosed