SCHEMBL28045778

SCHEMBL28045778

CC(C)Cc1cccc(CC(C)C)c1-n1cccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.52
GABRB2 P47870 2/20 0.52
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
SLC6A2 P23975 2/20 0.30
TAAR1 Q96RJ0 2/20 0.30
MAOA P21397 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CYP2A6 P11509 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
TP53 P04637 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
SCHEMBL18183963 0.75 GABRA1 (0.47) GABRA1GABRB2
SCHEMBL18089627 0.75 GABRA1 (0.47) GABRA1GABRB2
SCHEMBL17058598 0.72 GABRA1 (0.48) GABRA1GABRB2HSP90AA1HSP90AB1
SCHEMBL18184072 0.72 GABRA1 (0.44) GABRA1GABRB2
SCHEMBL840750 0.71 GABRA1 (0.64) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL17145877 0.71 GABRA1 (0.47) GABRA1GABRB2HSP90AA1HSP90AB1
SCHEMBL23527437 0.70 GABRA1 (0.62) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL2743774 0.70 GABRA1 (0.62) GABRA1GABRB2ELANECTSGSLC6A2
SCHEMBL22781148 0.70 GABRA1 (0.62) GABRA1GABRB2ELANECTSGSLC6A2
SCHEMBL28970301 0.69 GABRA1 (0.45) GABRA1GABRB2

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-105218711-B A kind of double activated component olefin polymerization catalysis and preparation method 淄博新塑化工有限公司 2017-08-25 CN claimed
CN-105218711-A A kind of double activated component olefin polymerization catalysis and preparation method ZIBO XINSU CHEMICAL CO LTD 2016-01-06 CN claimed
CN-105218711-A A kind of double activated component olefin polymerization catalysis and preparation method ZIBO XINSU CHEMICAL CO LTD 2016-01-06 CN disclosed