SCHEMBL2048574

SCHEMBL2048574

CC(C)C(c1ccccc1O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.65
GABRB2 P47870 2/20 0.65
TSHR P16473 5/20 0.58
POLB P06746 2/20 0.46
CA2 P00918 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
BLM P54132 2/20 0.43
HIF1A Q16665 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 2/20 0.43
CA12 O43570 2/20 0.43
CA14 Q9ULX7 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GMNN O75496 1/20 0.43
EGFR P00533 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
SCHEMBL15014302 0.81 HPGD (0.50) GABRA1GABRB2TSHRPOLBCA2
SCHEMBL671174 0.80 GABRA1 (0.65) GABRA1GABRB2TSHRPOLBCA2
SCHEMBL3415686 0.80 GABRA1 (0.65) GABRA1GABRB2TSHRPOLBCA2
SCHEMBL29440398 0.79 GABRA1 (0.71) GABRA1GABRB2TSHRPOLBCA2
SCHEMBL11597764 0.79 GABRA1 (0.71) GABRA1GABRB2TSHRPOLBCA2
SCHEMBL43297 0.79 GABRA1 (1.00) GABRA1GABRB2TSHRPOLBCA2
SCHEMBL29531559 0.79 GABRA1 (1.00) GABRA1GABRB2TSHRPOLBCA2
SCHEMBL51565 0.79 GABRA1 (0.71) GABRA1GABRB2TSHRPOLBCA2
SCHEMBL15485453 0.79 GABRA1 (1.00) GABRA1GABRB2TSHRPOLBCA2
SCHEMBL9157882 0.78 GABRA1 (0.62) GABRA1GABRB2TSHRPOLBCA2

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
EP-0698393-B1 3-l-MENTHOXY-PROPANE-1, 2-DIOL AS SOLUBILIZING AGENT AND EXTERNAL PREPARATION CONTAINING THE SAME HISAMITSU PHARMACEUTICAL CO (JP) 2002-07-03 EP claimed
WO-2018074439-A1 COSMETIC 花王株式会社 2018-04-26 WO disclosed
WO-2011077847-A1 EMULSION-TYPE LIQUID COMPOSITION FOR ORAL CAVITY, AND PROCESS FOR PRODUCTION THEREOF ライオン株式会社 (JP) 2011-06-30 WO disclosed