SCHEMBL9749626

SCHEMBL9749626

CC/C(=C\c1ccc2ccccc2c1O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1B1 Q16678 3/20 0.40
CYP1A1 P04798 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
CFTR P13569 1/20 0.40
PTPN22 Q9Y2R2 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
SCHEMBL9749631 1.00 LDHA (0.45) LDHAKDM4EMEN1MAPTKMT2A
SCHEMBL1831426 0.84 KDM4E (0.38) LDHAKDM4EMEN1MAPTKMT2A
SCHEMBL7971777 0.83 KDM4E (0.55) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL3817099 0.83 KDM4E (0.55) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL3817101 0.83 KDM4E (0.55) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL8830501 0.77 CRHBP (0.53) LDHAKDM4EKMT2A
SCHEMBL8830506 0.77 CRHBP (0.53) LDHAKDM4EKMT2A
SCHEMBL7419712 0.75 NR4A1 (0.39) LDHAKDM4EMEN1KMT2ATDP1
SCHEMBL11829415 0.74 NFKB1 (0.46) KDM4EMAPT
SCHEMBL909267 0.73 KDM4E (0.42) KDM4EMEN1MAPTKMT2A

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