SCHEMBL11211022

SCHEMBL11211022

CCC1Cc2cc(OCC(=O)O)c3ccccc3c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
GLA P06280 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSP90AB1 P08238 1/20 0.39
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
PTPN7 P35236 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL11116530 0.81 GRM2 (0.41) ALDH1A1L3MBTL1GLAKDM4EHPGD
SCHEMBL11360052 0.81 ALDH1A1 (0.46) ALDH1A1MAPTPKML3MBTL1GLA
SCHEMBL11112682 0.81 MEN1 (0.52) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL11113992 0.81 MEN1 (0.52) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL11602385 0.73 MAPT (0.39) ALDH1A1MAPTL3MBTL1GLAKDM4E
SCHEMBL11602685 0.73 HSD17B10 (0.44) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL11112838 0.72 CYP3A4 (0.46) CYP3A4CYP2C9TSHRHIF1AHSD17B10
SCHEMBL11117547 0.71 GRM2 (0.56) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL11603639 0.71 MCL1 (0.44) ALDH1A1MAPTL3MBTL1GLAKDM4E
SCHEMBL11243990 0.70 PTGDR2 (0.40) ALDH1A1PKML3MBTL1GLAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4356314-A [5,6,9A-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids, their analogs, esters, salts, and derivatives MERCK & CO., INC. (US) 1982-10-26 US disclosed
US-4356313-A [(5,6,9a-substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acid esters and their analogs, the parent acids and their salts MERCK & CO., INC. (US) 1982-10-26 US disclosed
US-4337354-A BRAIN AND SPINAL CHORD DAMAGE MERCK & CO., INC. (US) 1982-06-29 US disclosed
US-4317922-A [(5,6,9a-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids and their analogs, esters, salts and derivatives MERCK & CO., INC. (US) 1982-03-02 US disclosed
US-4316043-A ANTIEDEMIC AGENTS MERCK & CO., INC. (US) 1982-02-16 US disclosed
EP-0027948-A1 Tetrahydro-fluorene compounds, processes for their preparation and pharmaceutical compositions thereof MERCK & CO. INC. (US) 1981-05-06 EP disclosed