SCHEMBL28035876

SCHEMBL28035876

CC(C)c1ccccc1C(O)CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.46
GABRB2 P47870 2/20 0.46
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43
GABRA2 P47869 1/20 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
SCHEMBL28035875 1.00 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL6055088 0.80 LMNA (0.52) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL10711904 0.80 GABRA1 (0.50) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL7786029 0.78 ESR1 (0.45) LMNATSHRCYP1A2CYP3A4SLC6A2
SCHEMBL6055105 0.77 GABRA1 (0.45) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL1134282 0.76 SLC18A3 (0.43) LMNACYP3A4KMT2AAOC3SMN1; SMN2
SCHEMBL3447196 0.76 SLC18A3 (0.43) LMNACYP3A4KMT2AAOC3SMN1; SMN2
SCHEMBL13035459 0.76 SLC18A3 (0.43) LMNACYP3A4KMT2AAOC3SMN1; SMN2
Hydrogen Peroxide SCHEMBL29394264 0.75 GABRA1 (0.65) GABRA1GABRB2GABRG2GABRB3LMNA
Hydrogen Peroxide SCHEMBL35519 0.75 GABRA1 (0.65) GABRA1GABRB2GABRG2GABRB3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104961626-B A kind of preparation method of hydroxyl bromine compounds 中国科学院化学研究所 2016-09-21 CN disclosed
CN-104961626-A Hydroxyl bromine compound preparation method CHINESE ACAD INST CHEMISTRY 2015-10-07 CN disclosed