SCHEMBL11207419

SCHEMBL11207419

O=C(O)C(CCSc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDC25B P30305 1/20 0.43
LMNA P02545 3/20 0.43
CASP1 P29466 1/20 0.42
RAB9A P51151 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
MMP2 P08253 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL11210334 0.95 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL6777555 0.84 IDO1 (0.44) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL11353500 0.83 TDP1 (0.54) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL8324377 0.82 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1MAPK1LMNA
SCHEMBL11347968 0.79 PPARG (0.42) ALDH1A1KMT2AMEN1LMNARAB9A
SCHEMBL9052172 0.78 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL25933057 0.78 TDP1 (0.59) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL5242448 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL8643591 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL28293889 0.78 ALDH1A1 (0.55) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0019587-B1 CARBOXYLIC ACID HYDRAZIDES, PROCESS FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1983-07-20 EP disclosed
US-4296128-A ANTITHROMBOSIS AGENTS CIBA-GEIGY CORPORATION (US) 1981-10-20 US disclosed
EP-0019587-A1 Carboxylic acid hydrazides, process for their preparation, their use and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-11-26 EP disclosed