SCHEMBL11114978

SCHEMBL11114978

CCC12CCC(=O)C=C1c1c(cc(OCC(=O)OC(=O)COc3cc4c(c(Cl)c3Cl)C3=CC(=O)CCC3(CC)C4)c(Cl)c1Cl)C2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.47
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
LMNA P02545 2/20 0.40
BLM P54132 2/20 0.40
TSHR P16473 2/20 0.40
HIF1A Q16665 1/20 0.40
ESR1 P03372 7/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
GMNN O75496 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36
GRM2 Q14416 5/20 0.33

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
SCHEMBL11114998 0.95 ESR2 (0.45) ESR2HSD17B10MEN1KMT2ACYP3A4
SCHEMBL11264415 0.91 MEN1 (0.50) ESR2HSD17B10MEN1KMT2ACYP3A4
SCHEMBL11109377 0.91 MEN1 (0.50) ESR2HSD17B10MEN1KMT2ACYP3A4
SCHEMBL11421713 0.90 ESR2 (0.44) ESR2HSD17B10MEN1KMT2ACYP3A4
SCHEMBL11114155 0.90 ESR2 (0.47) ESR2HSD17B10MEN1KMT2ACYP3A4
SCHEMBL11113532 0.88 ESR2 (0.46) ESR2HSD17B10MEN1KMT2ACYP3A4
SCHEMBL11209881 0.88 ESR2 (0.42) ESR2HSD17B10MEN1KMT2ACYP3A4
SCHEMBL9813141 0.88 ESR2 (0.47) ESR2HSD17B10MEN1KMT2ACYP3A4
SCHEMBL11211228 0.87 ESR2 (0.42) ESR2HSD17B10MEN1KMT2ACYP3A4
SCHEMBL11212038 0.87 ESR2 (0.42) ESR2HSD17B10MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0056089-B1 AZOLYLALKYL-2,3-DIHYDROBENZOFURANS, FUNGICIDES CONTAINING THEM AND METHODS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1984-03-07 EP claimed
EP-0076446-A2 Azolylalkyl-2,3-dihydrobenzofuranes as plant growth regulators, and their application BASF Aktiengesellschaft (DE) 1983-04-13 EP claimed
EP-0056089-A1 Azolylalkyl-2,3-dihydrobenzofurans, fungicides containing them and methods for their preparation BASF Aktiengesellschaft (DE) 1982-07-21 EP claimed
EP-0027948-B1 TETRAHYDRO-FLUORENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF MERCK & CO. INC. (US) 1984-03-21 EP disclosed
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