SCHEMBL8072702

SCHEMBL8072702

C=CCCCCCCc1ccccc1OCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
PRKCD Q05655 1/20 0.44
PAK1 Q13153 1/20 0.44
CAMK2B Q13554 1/20 0.44
CAMK2G Q13555 1/20 0.44
CAMK2D Q13557 1/20 0.44
TAOK1 Q7L7X3 1/20 0.44
PPARD Q03181 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL8062722 1.00 THRA (0.53) THRATHRBLTB4RLTB4R2CYP1A2
SCHEMBL8062704 1.00 THRA (0.53) THRATHRBLTB4RLTB4R2CYP1A2
SCHEMBL8072540 1.00 THRA (0.53) THRATHRBLTB4RLTB4R2CYP1A2
SCHEMBL8078000 0.98 THRA (0.51) THRATHRBLTB4RLTB4R2CYP1A2
SCHEMBL8076259 0.94 THRA (0.50) THRATHRBLTB4RLTB4R2PPARD
SCHEMBL8078003 0.94 THRA (0.50) THRATHRBLTB4RLTB4R2PPARD
SCHEMBL8072813 0.94 THRA (0.50) THRATHRBLTB4RLTB4R2PPARD
SCHEMBL8071476 0.94 THRA (0.50) THRATHRBLTB4RLTB4R2PPARD
SCHEMBL8077923 0.94 THRA (0.49) THRATHRBLTB4RLTB4R2CYP1A2
SCHEMBL8072894 0.93 THRA (0.48) THRATHRBLTB4RLTB4R2CSNK1A1

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