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SCHEMBL14769562

SCHEMBL14769562

Cc1ccc2c(c1)c1cc3c(cc1n2-c1ccc(-n2c4ccc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)cc4c4cc5c(cc42)C(C)(C)c2ccccc2-5)cc1)C(C)(C)c1ccccc1-3

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.34
▸ PGR P06401 2/20 0.33
▸ PTGES2 Q9H7Z7 1/20 0.31
▸ AKR1C4 P17516 1/20 0.30
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ AKR1C1 Q04828 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
SCHEMBL12455992 0.95 PDK2 (0.33) PDK2PGRPTGES2
SCHEMBL14997438 0.94 PGR (0.38) PDK2PGRAKR1C4AKR1C3AKR1C2
SCHEMBL12292006 0.94 PDK2 (0.33) PDK2PGRPTGES2
SCHEMBL20408495 0.91 PGR (0.34) PDK2PGRPTGES2
SCHEMBL14822254 0.91 PDK2 (0.35) PDK2PGR
SCHEMBL14822263 0.91 PDK2 (0.35) PDK2PGR
SCHEMBL12699710 0.91 PDK2 (0.35) PDK2PGR
SCHEMBL14960765 0.91 PDK2 (0.35) PDK2PGR
SCHEMBL14822514 0.91 PDK2 (0.35) PDK2PGR
SCHEMBL14822427 0.90 PGR (0.32) PDK2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8974702-B2 Composition for the preparation of organic electronic (OE) devices MERCK PATENT GMBH (DE) 2015-03-10 — — US disclosed
US-8974702-B2 Composition for the preparation of organic electronic (OE) devices MERCK PATENT GMBH (DE) 2015-03-10 — — US disclosed
US-20130062581-A1 COMPOSITION FOR THE PREPARATION OF ORGANIC ELECTRONIC (OE) DEVICES MERCK PATENT GMBH (DE) 2013-03-14 — — US disclosed
US-20130062581-A1 COMPOSITION FOR THE PREPARATION OF ORGANIC ELECTRONIC (OE) DEVICES MERCK PATENT GMBH (DE) 2013-03-14 — — US disclosed
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