SCHEMBL7972438

SCHEMBL7972438

Cc1ccc(-c2ccc(C3(C)OC(=O)C(O)=C3O)cc2C)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.42
ESR1 P03372 4/20 0.38
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
QPCT Q16769 1/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
HPGD P15428 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30

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
SCHEMBL7971994 0.82 PGR (0.37) ESR2ESR1QPCTHCAR3HCAR2
SCHEMBL7965192 0.77 ESR1 (0.40) ESR1MEN1LMNAPOLBMAPT
SCHEMBL6026165 0.73 HSD17B1 (0.38) ESR2ESR1MEN1LMNAPOLB
SCHEMBL6026477 0.70 CHRNA1 (0.39) KMT2AHCAR3HCAR2HPGD
SCHEMBL7984729 0.70 CHRNA1 (0.39) KMT2AHCAR3HCAR2HPGD
SCHEMBL7969007 0.69 MAPT (0.35) ESR2ESR1MEN1LMNAPOLB
SCHEMBL6026481 0.69 MCL1 (0.41) MEN1LMNAPOLBMAPTKMT2A
SCHEMBL7965561 0.68 PTGS2 (0.43) SMN1; SMN2HPGD
SCHEMBL7967042 0.68 PGR (0.36) ESR2ESR1MEN1LMNAPOLB
SCHEMBL6926535 0.67 HCAR2 (0.49) MEN1KMT2AHCAR3HCAR2HPGD

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
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed