SCHEMBL9495458

SCHEMBL9495458

Cc1cc(-c2ncc[nH]2)ccc1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.54
BRD4 O60885 1/20 0.47
MTOR P42345 1/20 0.44
ADK P55263 1/20 0.44
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMPD3 Q9NY59 1/20 0.40
MAPK14 Q16539 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
VCP P55072 1/20 0.38
PDE4A P27815 1/20 0.38

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
SCHEMBL27586670 0.81 NISCH (0.63) NISCHBRD4MTORADKALDH1A1
SCHEMBL1838153 0.77 NISCH (0.58) NISCHBRD4MTORADKTLR9
SCHEMBL7832944 0.77 NISCH (0.58) NISCHBRD4MTORADKTLR9
SCHEMBL1688702 0.77 NISCH (0.58) NISCHBRD4MTORADKALDH1A1
SCHEMBL30586835 0.76 TLR9 (0.50) NISCHMTORADKTLR9TLR8
Hydrochloric Acid SCHEMBL27817951 0.75 NISCH (0.56) NISCHBRD4MTORADKTLR9
SCHEMBL23964820 0.74 ALDH1A1 (0.44) ALDH1A1KDM4ECYP3A4MEN1KMT2A
SCHEMBL1288544 0.74 NISCH (0.63) NISCHMTORADKTLR9TLR8
SCHEMBL3649556 0.73 NISCH (0.58) NISCHBRD4MTORADKALDH1A1
SCHEMBL26260204 0.73 NISCH (0.57) NISCHBRD4MTORADKTLR9

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-0525940-A2 Curable epoxy resin compositions TEXACO CHEMICAL COMPANY (US) 1993-02-03 EP claimed
US-5250638-A Complexes less reactive than imidazole alone; extends pot life TEXACO CHEMICAL COMPANY (US) 1993-10-05 US disclosed
EP-0525940-A2 Curable epoxy resin compositions TEXACO CHEMICAL COMPANY (US) 1993-02-03 EP disclosed
EP-0483953-A1 1-Isopropyl-2-tolylimidazole as an epoxy resin curative TEXACO CHEMICAL COMPANY (US) 1992-05-06 EP disclosed
US-5086155-A Lengthy pot life at ambient temperatures; stability; resistance to heat, chemicals and moisture TEXACO CHEMICAL COMPANY (US) 1992-02-04 US disclosed