SCHEMBL8077508

SCHEMBL8077508

C=CCCCCCCCc1ccccc1CCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
LIPG Q9Y5X9 1/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BID P55957 3/20 0.42
BCL2L1 Q07817 3/20 0.42
MCL1 Q07820 3/20 0.42
BAK1 Q16611 3/20 0.42
F7 P08709 3/20 0.42
F3 P13726 3/20 0.42
MMP2 P08253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
ECE1 P42892 1/20 0.42
SGMS1 Q86VZ5 1/20 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
SCHEMBL8076178 1.00 TSHR (0.54) TSHRLIPGTHRATHRBALDH1A1
SCHEMBL8073188 1.00 TSHR (0.54) TSHRLIPGTHRATHRBALDH1A1
SCHEMBL8062199 1.00 TSHR (0.54) TSHRLIPGTHRATHRBALDH1A1
SCHEMBL8072340 0.98 TSHR (0.50) TSHRLIPGTHRATHRBALDH1A1
SCHEMBL8072059 0.93 TSHR (0.48) TSHRLIPGTHRATHRBALDH1A1
SCHEMBL8062040 0.93 TSHR (0.48) TSHRLIPGTHRATHRBALDH1A1
SCHEMBL8062475 0.93 TSHR (0.48) TSHRLIPGTHRATHRBALDH1A1
SCHEMBL8071282 0.93 TSHR (0.48) TSHRLIPGTHRATHRBALDH1A1
SCHEMBL8063252 0.92 TSHR (0.50) TSHRLIPGTHRATHRBALDH1A1
SCHEMBL8072137 0.91 TSHR (0.45) TSHRLIPGTHRATHRBALDH1A1

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