SCHEMBL8007913

SCHEMBL8007913

CCCC=Cn1c2ccccc2c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.45
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
PGR P06401 1/20 0.38
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 4/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
SLC6A2 P23975 2/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.35

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
SCHEMBL8007911 1.00 GPR3 (0.45) GPR3CYP1A2CYP2C19PGRRORA
SCHEMBL2452097 0.89 PGR (0.42) GPR3CYP1A2CYP2C19PGRRORA
SCHEMBL2452096 0.89 PGR (0.42) GPR3CYP1A2CYP2C19PGRRORA
SCHEMBL2457082 0.84 GPR3 (0.48) GPR3CYP1A2CYP2C19PGRRORA
SCHEMBL2457083 0.84 GPR3 (0.48) GPR3CYP1A2CYP2C19PGRRORA
SCHEMBL8007329 0.84 PTGER4 (0.55) ALDH1A1MAPTTSHRLMNAPOLB
SCHEMBL8007334 0.84 PTGER4 (0.55) ALDH1A1MAPTTSHRLMNAPOLB
SCHEMBL17711523 0.73 PGR (0.45) GPR3CYP1A2CYP2C19PGRRORA
SCHEMBL19563068 0.73 TSHR (0.35) ALDH1A1MAPTTSHRKDM4EHTT
SCHEMBL7193414 0.73 GPR3 (0.48) GPR3CYP1A2CYP2C19ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101397308-A POSS hybrid hole-transporting material and preparation method thereof UNIV DONGHUA (CN) 2009-04-01 CN disclosed
US-6140004-A LAMINATION A SUBSTRATE AND CHARGE TRANSPORT LAYER IMATION CORP. (US) 2000-10-31 US disclosed
US-6066426-A ORGANIC PHOTORECEPTOR COMPRISING ARYLHYDRAZONE OF 3-FORMYL CARBAZOLE AS CHARGE TRANSPORT COMPOUND IMATION CORP. (US) 2000-05-23 US disclosed
WO-2000022483-A1 ORGANIC PHOTORECEPTORS FOR ELECTROPHOTOGRAPHY CONTAINING HYDRAZONE CHARGE TRANSPORT COMPOUNDS IMATION CORP. (US) 2000-04-20 WO disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed