SCHEMBL8736635

SCHEMBL8736635

C=CCC1c2ccccc2C(=O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CDC25B P30305 1/20 0.41
HTR2A P28223 1/20 0.41
CASP3 P42574 2/20 0.40
CYP1A2 P05177 2/20 0.40
MAPK1 P28482 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CES2 O00748 2/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
PTPRC P08575 2/20 0.37
MITF O75030 1/20 0.37
NSD2 O96028 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL2484385 0.89 HTR2A (0.38) EDNRBEDNRAKMT2AMEN1CDC25B
SCHEMBL252162 0.88 HTR2A (0.52) HTR2ACA1CA2CES2ALDH1A1
SCHEMBL8546525 0.80 KDM4E (0.37) EDNRBEDNRAKMT2AMEN1CASP3
SCHEMBL4552155 0.75 IDO1 (0.45) HTR2ACYP1A2ALDH1A1LMNAHTT
SCHEMBL28946736 0.75 HTR2A (0.37) HTR2ACA1CA2CES2ALDH1A1
SCHEMBL6903762 0.74 CDC25B (0.46) EDNRBEDNRAKMT2AMEN1CDC25B
SCHEMBL4551141 0.73 HTR2A (0.39) HTR2ACASP3CYP1A2CA1CA2
SCHEMBL16859501 0.73 HSD17B10 (0.55) HTR2ACYP1A2ALDH1A1KDM4EHPGD
SCHEMBL11493349 0.73 ALDH1A1 (0.45) EDNRBEDNRAKMT2AMEN1CDC25B
SCHEMBL8509649 0.73 HTR2A (0.34) HTR2ACYP1A2LMNAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642483-B1 CHLORINATION AND ELIMINATION PROCESS AND SOME PRODUCTS THEREOF DOW CHEMICAL CO (US) 1998-02-18 EP claimed
EP-0642483-A4 CHLORINATION AND ELIMINATION PROCESS AND SOME PRODUCTS THEREOF. 1995-04-19 EP claimed
EP-0642483-A1 CHLORINATION AND ELIMINATION PROCESS AND SOME PRODUCTS THEREOF THE DOW CHEMICAL COMPANY (US) 1995-03-15 EP claimed
US-5227560-A Vinylene or exomethylene groups from active methine compounds THE DOW CHEMICAL COMPANY (US) 1993-07-13 US claimed
WO-1993009078-A1 CHLORINATION AND ELIMINATION PROCESS AND SOME PRODUCTS THEREOF THE DOW CHEMICAL COMPANY (US) 1993-05-13 WO claimed
EP-0642483-B1 CHLORINATION AND ELIMINATION PROCESS AND SOME PRODUCTS THEREOF DOW CHEMICAL CO (US) 1998-02-18 EP disclosed
EP-0642483-A4 CHLORINATION AND ELIMINATION PROCESS AND SOME PRODUCTS THEREOF. 1995-04-19 EP disclosed
EP-0642483-A1 CHLORINATION AND ELIMINATION PROCESS AND SOME PRODUCTS THEREOF THE DOW CHEMICAL COMPANY (US) 1995-03-15 EP disclosed
US-5227560-A Vinylene or exomethylene groups from active methine compounds THE DOW CHEMICAL COMPANY (US) 1993-07-13 US disclosed
WO-1993009078-A1 CHLORINATION AND ELIMINATION PROCESS AND SOME PRODUCTS THEREOF THE DOW CHEMICAL COMPANY (US) 1993-05-13 WO disclosed