SCHEMBL8072340

SCHEMBL8072340

C=CCCCCc1ccccc1CCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.48
LIPG Q9Y5X9 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TLR8 Q9NR97 1/20 0.41
BID P55957 3/20 0.40
BCL2L1 Q07817 3/20 0.40
MCL1 Q07820 3/20 0.40
BAK1 Q16611 3/20 0.40
F7 P08709 3/20 0.40
F3 P13726 3/20 0.40
MMP2 P08253 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8073188 0.98 TSHR (0.54) TSHRALDH1A1LIPGTHRATHRB
SCHEMBL8076178 0.98 TSHR (0.54) TSHRALDH1A1LIPGTHRATHRB
SCHEMBL8062199 0.98 TSHR (0.54) TSHRALDH1A1LIPGTHRATHRB
SCHEMBL8077508 0.98 TSHR (0.54) TSHRALDH1A1LIPGTHRATHRB
SCHEMBL8063252 0.94 TSHR (0.50) TSHRALDH1A1LIPGTHRATHRB
SCHEMBL8072137 0.92 TSHR (0.45) TSHRALDH1A1LIPGTHRATHRB
SCHEMBL8062040 0.91 TSHR (0.48) TSHRALDH1A1LIPGTHRATHRB
SCHEMBL8062475 0.91 TSHR (0.48) TSHRALDH1A1LIPGTHRATHRB
SCHEMBL8072059 0.91 TSHR (0.48) TSHRALDH1A1LIPGTHRATHRB
SCHEMBL8071282 0.91 TSHR (0.48) TSHRALDH1A1LIPGTHRATHRB

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