SCHEMBL9751998

SCHEMBL9751998

CC(C)CC(c1ccccc1O)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.58
GABRB2 P47870 3/20 0.58
TSHR P16473 3/20 0.57
POLB P06746 2/20 0.50
HPGD P15428 3/20 0.39
LMNA P02545 3/20 0.38
CYP3A4 P08684 3/20 0.38
HIF1A Q16665 3/20 0.38
CA2 P00918 2/20 0.38
BLM P54132 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CYP1A2 P05177 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL9329661 0.87 GABRA1 (0.58) GABRA1GABRB2TSHRPOLBHPGD
SCHEMBL9838282 0.86 GABRA1 (0.54) GABRA1GABRB2TSHRPOLBHPGD
SCHEMBL2979477 0.85 TSHR (0.67) GABRA1GABRB2TSHRPOLBHPGD
SCHEMBL8518211 0.82 TSHR (0.44) GABRA1GABRB2TSHRPOLBHPGD
SCHEMBL18774937 0.79 GABRA1 (0.54) GABRA1GABRB2TSHRPOLBHPGD
SCHEMBL29027348 0.79 GABRA1 (0.54) GABRA1GABRB2TSHRPOLBHPGD
SCHEMBL20319876 0.78 TSHR (0.62) GABRA1GABRB2TSHRPOLBHPGD
SCHEMBL10696250 0.78 GABRA1 (0.52) GABRA1GABRB2TSHRPOLBHPGD
SCHEMBL296591 0.77 TSHR (0.68) GABRA1GABRB2TSHRPOLBHPGD
SCHEMBL29860994 0.77 TSHR (0.68) GABRA1GABRB2TSHRPOLBHPGD

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
EP-0439607-A4 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES 1991-12-04 EP disclosed
EP-0439607-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES ISK BIOSCIENCES CORPORATION (US) 1991-08-07 EP disclosed