SCHEMBL24445839

SCHEMBL24445839

Cc1c(O)cccc1OC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
ATM Q13315 1/20 0.50
TP53 P04637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TSHR P16473 1/20 0.39
KCNK3 O14649 4/20 0.37
KCNK9 Q9NPC2 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 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
SCHEMBL16707610 0.85 HSD11B1 (0.41) ALDH1A1MAPTKDM4EMAPK1KCNK3
SCHEMBL4503434 0.82 TRPA1 (0.52) TRPA1ATMTP53ALDH1A1MAPT
SCHEMBL28785709 0.81 ALDH1A1 (0.52) TRPA1TP53ALDH1A1MAPTKDM4E
SCHEMBL13160083 0.79 MAPT (0.46) TRPA1ATMALDH1A1MAPTKDM4E
SCHEMBL225016 0.79 CA2 (0.50) TP53ALDH1A1MAPTKDM4ELMNA
SCHEMBL29715057 0.79 CA2 (0.50) TP53ALDH1A1MAPTKDM4ELMNA
SCHEMBL2092732 0.78 MPL (0.44) TP53ALDH1A1MAPTKDM4ELMNA
SCHEMBL24886371 0.78 KCNN4 (0.39) TRPA1ALDH1A1KDM4ELMNAMAPK1
SCHEMBL2094188 0.78 MAPT (0.39) TP53ALDH1A1MAPTKDM4ELMNA
SCHEMBL16957955 0.77 KCNK3 (0.43) ALDH1A1KCNK3KCNK9L3MBTL1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 EP disclosed
CN-104159947-A polymer and organic electroluminescent element MITSUBISHI CHEM CORP 2014-11-19 CN disclosed
CN-102245543-B Low-molecular compound, polymer, electronic device material, composition for electronic device, organic electroluminescent element, organic solar cell element, display device, and lighting device MITSUBISHI CHEM CORP 2014-09-10 CN disclosed
CN-102105511-B Charge-transporting polymer, composition for organic electroluminescent element, organic EL display, and organic EL lighting MITSUBISHI CHEM CORP 2013-01-02 CN disclosed
CN-102245543-A Low-molecular compound, polymer, electronic device material, composition for electronic device, organic electroluminescent element, organic solar cell element, display device, and lighting device MITSUBISHI CHEM CORP 2011-11-16 CN disclosed
CN-102105511-A Charge-transporting polymer, composition for organic electroluminescent element, organic EL display, and organic EL lighting MITSUBISHI CHEM CORP 2011-06-22 CN disclosed
CN-101981086-A Polymer compound, network polymer compound obtained by crosslinking the polymer compound, composition for organic electroluminescent element, organic EL display, and organic EL lighting MITSUBISHI CHEM CORP 2011-02-23 CN disclosed
CN-101945925-A Conjugated polymer, insoluble polymer, material for organic electroluminescent element, composition for organic electroluminescent element, method for producing polymer, organic electroluminescent element, organic EL display, and organic EL lighting MITSUBISHI CHEM CORP 2011-01-12 CN disclosed
CN-1878773-A Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands NEUROGEN CORP (US) 2006-12-13 CN disclosed