SCHEMBL8933065

SCHEMBL8933065

CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
RARB P10826 6/20 0.44
RARG P13631 6/20 0.44
RARA P10276 5/20 0.44
GABRB1 P18505 1/20 0.42
GABRB2 P47870 1/20 0.42
GRIN2D O15399 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
MLKL Q8NB16 1/20 0.39
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 1/20 0.38
HCAR3 P49019 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PTGS2 P35354 3/20 0.37
PTGS1 P23219 2/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 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
SCHEMBL6370340 0.78 KDM4E (0.56) KDM4ERARBRARGRARAGABRB1
SCHEMBL29912865 0.78 KDM4E (0.56) KDM4ERARBRARGRARAGABRB1
SCHEMBL19774287 0.76 KDM4E (0.50) KDM4ERARBRARGRARAGRIN2D
SCHEMBL10722538 0.76 SLC6A2 (0.43) GABRB1GABRB2KMT2ACYP1A2TSHR
SCHEMBL8081677 0.74 KDM4E (0.55) KDM4ERARBRARGRARAGRIN2D
SCHEMBL28852413 0.74 KDM4E (0.51) KDM4ERARBRARGRARAGABRB1
SCHEMBL11460818 0.73 KDM4E (0.54) KDM4ERARBRARGRARALMNA
SCHEMBL632517 0.72 KMT2A (0.38) KDM4ELMNAKMT2A
SCHEMBL17965782 0.72 SRC (0.50) LMNAKMT2ATDP1TSHR
SCHEMBL7907125 0.72 RARB (0.54) KDM4ERARBRARGRARAGRIN2D

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
WO-1996023813-A1 PEPTIDES AND COMPOUNDS THAT BIND TO SH2 DOMAINS AFFYMAX TECHNOLOGIES N.V. (AN) 1996-08-08 WO disclosed