SCHEMBL6838562

SCHEMBL6838562

CC=CC(=CCC)c1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MPO P05164 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP2A6 P11509 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NAAA Q02083 1/20 0.33
PLOD2 O00469 2/20 0.33
PLOD3 O60568 2/20 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
SCHEMBL6838561 1.00 HTT (0.36) HTTKMT2ANPSR1CYP1A2CYP2D6
SCHEMBL22600767 0.81 ATM (0.41) KMT2ACYP1A2CYP2D6CYP3A4
SCHEMBL20748738 0.80 CYP1A2 (0.30) CYP1A2CYP2D6CYP1A1CYP1B1
SCHEMBL22296179 0.80 HDAC3 (0.33) HTTKMT2ANPSR1CYP1A2CYP2D6
SCHEMBL18509288 0.79 SMN1; SMN2 (0.40) HTTKMT2ANPSR1CYP1A2CYP2D6
SCHEMBL15826777 0.76 ACHE (0.32)
SCHEMBL21185486 0.75 HDAC1 (0.38) HTTKMT2ACYP1A2HDAC3HDAC1
SCHEMBL16407689 0.74 HTT (0.36) HTTKMT2ACYP1A2CYP2D6NAPRT
SCHEMBL15508307 0.74 HTT (0.36) HTTKMT2ACYP1A2CYP2D6NAPRT
SCHEMBL150180 0.74 GPR52 (0.35) HTTKMT2ANPSR1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020025477-A1 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-02-28 US claimed
EP-1172878-A2 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-01-16 EP claimed
US-6767671-B2 STABILITY; HEAT RESISTANCE MITSUBISHI CHEMICAL CORPORATION (JP) 2004-07-27 US disclosed
US-6521806-B1 Trimerizing ethylene in a 1-hexene solvent; catalyst is chromium compound with trialkylaluminum or dialkylaluminum hydride, a pyrrole compound, group IIIB-halogen compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-02-18 US disclosed
US-20020025477-A1 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-02-28 US disclosed
EP-1172878-A2 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-01-16 EP disclosed
CN-1057991-C Method for prepn. of 1-hexene SUMITOMO CHEMICAL CO (JP) 2000-11-01 CN disclosed
US-5851681-A Wiring structure with metal wiring layers and polyimide layers, and fabrication process of multilayer wiring board HITACHI, LTD. (JP) 1998-12-22 US disclosed
EP-0699648-B1 Process for producing 1-hexene SUMITOMO CHEMICAL CO (JP) 1998-04-22 EP disclosed
CN-1128745-A Method for prepn. of 1-hexene SUMITOMO CHEMICAL CO (JP) 1996-08-14 CN disclosed
EP-0699648-A1 Process for producing 1-hexene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-03-06 EP disclosed
EP-0065352-B1 LIGHT-SENSITIVE POLYMER COMPOSITION Hitachi, Ltd. (JP) 1986-01-29 EP disclosed
EP-0065352-A2 Light-sensitive polymer composition Hitachi, Ltd. (JP) 1982-11-24 EP disclosed