SCHEMBL4821046

SCHEMBL4821046

CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.47
▸ RARB P10826 2/20 0.44
▸ PTPN11 Q06124 2/20 0.44
▸ PDK2 Q15119 3/20 0.44
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PLA2G4B P0C869 1/20 0.43
▸ SRD5A2 P31213 1/20 0.41

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
SCHEMBL25070269 1.00 APEX1 (0.47) APEX1RARBPTPN11PDK2TP53
SCHEMBL6258494 0.93 RARB (0.49) RARBPTPN11TP53TSHRPLA2G4B
SCHEMBL27740986 0.93 RARB (0.49) RARBPTPN11TP53TSHRPLA2G4B
SCHEMBL22524399 0.92 PDK2 (0.52) APEX1RARBPTPN11PDK2TP53
SCHEMBL22524483 0.92 PDK2 (0.52) APEX1RARBPTPN11PDK2TP53
SCHEMBL27761329 0.92 RARB (0.47) RARBPTPN11TP53TSHRPLA2G4B
SCHEMBL14768863 0.91 PDK2 (0.45) APEX1PDK2
SCHEMBL28871391 0.90 PDK2 (0.51) APEX1PDK2
SCHEMBL28776646 0.90 PDK2 (0.51) APEX1PDK2
SCHEMBL4822886 0.88 PDK2 (0.43) APEX1PTPN11PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442760-B2 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-10-28 — — US disclosed
US-20080026135-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY 2008-01-31 — — US disclosed
US-7271406-B2 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-18 — — US disclosed
US-7094902-B2 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-22 — — US disclosed
US-20060155106-A1 ELECTROACTIVE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2006-07-13 — — US disclosed
CN-1777629-A Electroactive polymers 3M INNOVATIVE PROPERTIES CO (US) 2006-05-24 — — CN disclosed
CN-1764708-A Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES CO (US) 2006-04-26 — — CN disclosed
EP-1618169-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M Innovative Properties Company (US) 2006-01-25 — — EP disclosed
EP-1573789-A2 ELECTROACTIVE POLYMERS 3M Innovative Properties Company (US) 2005-09-14 — — EP disclosed
WO-2004102615-A2 ELECTROACTIVE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-25 — — WO disclosed
WO-2004096948-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-11 — — WO disclosed
US-20040214036-A1 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY 2004-10-28 — — US disclosed
US-20040062930-A1 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY 2004-04-01 — — US disclosed
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