SCHEMBL8076101

SCHEMBL8076101

CCCCOc1ccccc1CCCCCCCCBr

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
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
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL8072871 1.00 LTB4R (0.49) LTB4RLTB4R2CYP1A2CYP2C9CYP2C19
SCHEMBL8076069 1.00 LTB4R (0.49) LTB4RLTB4R2CYP1A2CYP2C9CYP2C19
SCHEMBL8076369 1.00 LTB4R (0.49) LTB4RLTB4R2CYP1A2CYP2C9CYP2C19
SCHEMBL8072240 1.00 LTB4R (0.49) LTB4RLTB4R2CYP1A2CYP2C9CYP2C19
SCHEMBL8070968 1.00 LTB4R (0.49) LTB4RLTB4R2CYP1A2CYP2C9CYP2C19
SCHEMBL8078022 0.98 CYP1A2 (0.50) LTB4RLTB4R2CYP1A2CYP2C9CYP2C19
SCHEMBL2857706 0.95 LTB4R (0.51) LTB4RLTB4R2CYP1A2CYP2C9CYP2C19
SCHEMBL8077690 0.94 LTB4R (0.49) LTB4RLTB4R2THRATHRBPPARD
SCHEMBL8062357 0.94 LTB4R (0.49) LTB4RLTB4R2THRATHRBPPARD
SCHEMBL8070754 0.94 LTB4R (0.49) LTB4RLTB4R2THRATHRBPPARD

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