SCHEMBL29020580

SCHEMBL29020580

CC(C)c1ccccc1O.c1cc2ccc1-2

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.86
GABRB2 P47870 2/20 0.86
TSHR P16473 2/20 0.56
CA2 P00918 4/20 0.52
LMNA P02545 3/20 0.52
CA1 P00915 3/20 0.52
SLC6A2 P23975 2/20 0.52
HTR2B P41595 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 2/20 0.52
BLM P54132 2/20 0.52
HIF1A Q16665 2/20 0.52
FAAH O00519 1/20 0.52
CYP1A2 P05177 1/20 0.52
GABRB1 P18505 1/20 0.52
PTGS1 P23219 1/20 0.52
HTR2C P28335 1/20 0.52
GABRA5 P31644 1/20 0.52

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
SCHEMBL29531559 0.93 GABRA1 (1.00) GABRA1GABRB2TSHRCA2LMNA
SCHEMBL43297 0.93 GABRA1 (1.00) GABRA1GABRB2TSHRCA2LMNA
SCHEMBL15485453 0.93 GABRA1 (1.00) GABRA1GABRB2TSHRCA2LMNA
Hydrogen Peroxide SCHEMBL28937397 0.90 GABRA1 (0.95) GABRA1GABRB2TSHRCA2LMNA
Benzene SCHEMBL1841233 0.90 GABRA1 (0.95) GABRA1GABRB2TSHRCA2LMNA
SCHEMBL28800546 0.90 GABRA1 (0.95) GABRA1GABRB2TSHRCA2LMNA
Ammonia Solution, Strong SCHEMBL27336219 0.90 GABRA1 (0.95) GABRA1GABRB2TSHRCA2LMNA
Ethane SCHEMBL5264203 0.90 GABRA1 (0.95) GABRA1GABRB2TSHRCA2LMNA
SCHEMBL27568004 0.90 GABRA1 (0.95) GABRA1GABRB2TSHRCA2LMNA
SCHEMBL27858014 0.90 GABRA1 (0.95) GABRA1GABRB2TSHRCA2LMNA

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-116324124-A Hydrophobically modified associative thickener polymer and preparation method and application thereof 赫尔克里士有限公司 2023-06-23 CN disclosed
CN-116324123-A Hydrophobically modified associative thickener polymer and preparation method and application thereof 赫尔克里士有限公司 2023-06-23 CN disclosed