SCHEMBL11549869

SCHEMBL11549869

O=C(O)c1cc(C(=O)O)cc(C23CC4CC(C2)CC(c2cc(C(=O)O)cc(C(=O)O)c2)(C4)C3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.43
RARB P10826 3/20 0.43
RARG P13631 3/20 0.43
PGR P06401 4/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
STS P08842 2/20 0.40
HSD11B1 P28845 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 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
SCHEMBL5834015 0.89 RARB (0.49) RARARARBRARGPGRSTS
SCHEMBL7906252 0.85 RARB (0.49) RARARARBRARGPGRSTS
SCHEMBL2747091 0.83 SERPINE1 (0.50) RARARARBRARGPGRGRIN2D
SCHEMBL2745792 0.82 PGR (0.50) RARARARBRARGPGRGRIN2D
SCHEMBL11553208 0.80 PGR (0.45) PGRALDH1A1MAPTHPGDHSD17B10
SCHEMBL2710090 0.75 MEN1 (0.44) PGRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11589400 0.74 RARG (0.39) RARARARBRARGPGRSTS
SCHEMBL2747023 0.74 HIF1A (0.46) PGRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28615868 0.74 MEN1 (0.46) RARARARBRARGSTSHSD11B1
SCHEMBL422675 0.72 SERPINE1 (0.58) RARARARBRARGPGRSTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4142036-A Polyphenylcarboxylic acid adamantane compounds and polymers prepared therefrom STANDARD OIL COMPANY (INDIANA) (US) 1979-02-27 US claimed
US-4142036-A Polyphenylcarboxylic acid adamantane compounds and polymers prepared therefrom STANDARD OIL COMPANY (INDIANA) (US) 1979-02-27 US disclosed