SCHEMBL8072069

SCHEMBL8072069

C=CCCc1ccccc1OCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
PRKCD Q05655 1/20 0.47
PAK1 Q13153 1/20 0.47
CAMK2B Q13554 1/20 0.47
CAMK2G Q13555 1/20 0.47
CAMK2D Q13557 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
PPARD Q03181 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL8077923 0.92 THRA (0.49) CYP1A2CYP2C9CYP2C19CSNK1A1CSNK1D
SCHEMBL8070949 0.92 MAPT (0.45) CSNK1A1CSNK1DPRKCDPAK1CAMK2B
SCHEMBL8078000 0.91 THRA (0.51) CYP1A2CYP2C9CYP2C19CSNK1A1CSNK1D
SCHEMBL8072702 0.89 THRA (0.53) CYP1A2CYP2C9CYP2C19CSNK1A1CSNK1D
SCHEMBL8062704 0.89 THRA (0.53) CYP1A2CYP2C9CYP2C19CSNK1A1CSNK1D
SCHEMBL8062722 0.89 THRA (0.53) CYP1A2CYP2C9CYP2C19CSNK1A1CSNK1D
SCHEMBL8072540 0.89 THRA (0.53) CYP1A2CYP2C9CYP2C19CSNK1A1CSNK1D
SCHEMBL22700920 0.86 KDM4E (0.53) L3MBTL1MAPTHPGDNPSR1ALDH1A1
SCHEMBL5270852 0.86 THRA (0.57) CYP1A2CYP2C9CYP2C19CSNK1A1CSNK1D
SCHEMBL8062361 0.86 THRA (0.46) CYP1A2CYP2C9CYP2C19CSNK1A1CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed