SCHEMBL9748816

SCHEMBL9748816

CCOC(=O)C(CCCc1ccc2ccccc2c1O)C(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL9614851 0.84 LDHA (0.46)
SCHEMBL9614852 0.81 CYP4F2 (0.63) TDP1L3MBTL1
SCHEMBL9749099 0.80 TDP1 (0.48) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL7829068 0.80 CYP4F2 (0.61) TDP1L3MBTL1
SCHEMBL9614835 0.79 CYP4F2 (0.60)
SCHEMBL9749227 0.78 CA2 (0.41) MAPK1
SCHEMBL10915187 0.78
SCHEMBL1203591 0.76
SCHEMBL2005766 0.74 TYR (0.51)
SCHEMBL11203242 0.74 TDP1 (0.55) TDP1MEN1KMT2AALDH1A1TSHR

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-0201071-B1 2-SUBSTITUTED-1-NAPHTHOLS AS 5-LIPOXYGENASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-03-04 EP claimed