SCHEMBL17748822

SCHEMBL17748822

CC(C)c1ccc(C(C)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.46
HTT P42858 2/20 0.42
IDO1 P14902 2/20 0.41
MGLL Q99685 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 3/20 0.38
HIF1A Q16665 2/20 0.38
CYP2D6 P10635 1/20 0.38
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37
PIM1 P11309 1/20 0.36
POLB P06746 1/20 0.36
ADRB2 P07550 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL28511413 0.87 TYR (0.50) TYRHTTIDO1MGLLLMNA
Isopropylbenzene SCHEMBL7651432 0.86 TAAR1 (0.43) LMNAHIF1ACYP2D6KDM4EALDH1A1
SCHEMBL104124 0.83 TYR (0.58) TYRHTTIDO1MGLLLMNA
SCHEMBL12884230 0.82 MEN1 (0.44) HTTHIF1AKDM4EMAPK1POLB
SCHEMBL16687360 0.82 ADRB2 (0.56) IDO1LMNAHIF1AMAPK1HPGD
SCHEMBL436846 0.82 ADRB2 (0.56) IDO1LMNAHIF1AMAPK1HPGD
SCHEMBL19577176 0.82 ADRB2 (0.56) IDO1LMNAHIF1AMAPK1HPGD
Water SCHEMBL11726962 0.79 TYR (0.55) TYRHTTIDO1MGLLLMNA
Ammonia Solution, Strong SCHEMBL7550588 0.79 TYR (0.55) TYRHTTIDO1MGLLLMNA
Water SCHEMBL29278796 0.79 TYR (0.55) TYRHTTIDO1MGLLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3455284-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2019-03-20 EP disclosed
WO-2017196762-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2017-11-16 WO disclosed
WO-2017196763-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2017-11-16 WO disclosed
EP-3218425-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2017-09-20 EP disclosed
WO-2016077513-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2016-05-19 WO disclosed