SCHEMBL16670933

SCHEMBL16670933

CC(C)(C)c1cccc2c1CC=C2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
HRH1 P35367 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
HTR3A P46098 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KIF11 P52732 1/20 0.31
ALOX12 P18054 1/20 0.30

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
SCHEMBL15582359 0.74 KDM4E (0.33) ALDH1A1
SCHEMBL25700537 0.74 CA2 (0.35) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL4854314 0.72 SLC6A2 (0.37) CA2ALDH1A1TSHRSLC6A2HTR2A
Indene SCHEMBL28790999 0.72 CA2 (0.50) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28802253 0.72 PTAFR (0.37) ALDH1A1TSHRKIF11
SCHEMBL8962424 0.71
SCHEMBL20204270 0.71 RXRA (0.36) ALDH1A1KIF11
SCHEMBL27102080 0.71 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL276578 0.70 SLC6A2 (0.35) SLC6A2HTR2ASLC6A4HRH1OPRD1
SCHEMBL5951004 0.69 GABRA1 (0.41) CA2GABRA1GABRB2TSHRTDP1

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
CN-117024483-A Metallocene complex and application thereof 海南贝欧亿科技有限公司 2023-11-10 CN disclosed
EP-3060588-A1 PROCESS FOR THE PREPARATION OF POROUS PROPYLENE POLYMERS Basell Poliolefine Italia S.r.l. (IT) 2016-08-31 EP disclosed
WO-2015059117-A1 PROCESS FOR THE PREPARATION OF POROUS PROPYLENE POLYMERS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2015-04-30 WO disclosed