SCHEMBL7759938

SCHEMBL7759938

CC(=O)CC1(C)c2ccccc2CC(C)(C)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HTR2A P28223 1/20 0.34
NOTUM Q6P988 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL10839044 0.71 HTR2A (0.41) HTR2AKMT2A
SCHEMBL558875 0.70 HTR2A (0.39) HTR2A
Bicarbonate SCHEMBL8752098 0.69 HDAC9 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL14968650 0.67 NOTUM (0.36) ALDH1A1HTR2ANOTUM
SCHEMBL24052816 0.66 HTR2A (0.44) HTR2A
SCHEMBL2046731 0.66 MAPK1 (0.40) HTR2AIDO1
SCHEMBL12861363 0.66 ALDH1A1 (0.41) ALDH1A1NOTUMMEN1KMT2A
SCHEMBL2354334 0.66 HTR2A (0.42) HTR2A
SCHEMBL12745112 0.65 BRD4 (0.41) ALDH1A1MAPTNOTUMHTTKMT2A
SCHEMBL2389607 0.65 HTR2A (0.43) HTR2AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714281-B1 DEODORANT COMPOSITION CONTAINING ACETYL HEXAMETHYL TETRALIN (TONALIDE) COLGATE PALMOLIVE CO (US) 2001-03-28 EP claimed