SCHEMBL7745235

SCHEMBL7745235

COC=Cc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.48
CYP1A2 P05177 1/20 0.45
PTGS2 P35354 2/20 0.44
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.44
MAOB P27338 2/20 0.43
NFE2L2 Q16236 2/20 0.43
MAOA P21397 1/20 0.43
HSD17B10 Q99714 1/20 0.42
FBP1 P09467 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL11808396 1.00 AHR (0.48) AHRCYP1A2PTGS2ALOX5PTGS1
SCHEMBL8321726 0.80 AHR (0.52) AHRCYP1A2PTGS2ALOX5PTGS1
SCHEMBL5384402 0.78 RELA (0.58) PTGS2ALOX5PTGS1MAOBNFE2L2
SCHEMBL5384397 0.78 RELA (0.58) PTGS2ALOX5PTGS1MAOBNFE2L2
SCHEMBL5376234 0.77 KDM4E (0.50) PTGS2PTGS1NFE2L2
SCHEMBL5376231 0.77 KDM4E (0.50) PTGS2PTGS1NFE2L2
SCHEMBL976834 0.76 APP (0.54) CYP1A2PTGS2ALOX5PTGS1MAOB
SCHEMBL7868088 0.76 KDM4E (0.64) AHRCYP1A2PTGS2ALOX5PTGS1
SCHEMBL7132075 0.76 TUBB4A (0.50) CYP1A2MAOBMAOA
SCHEMBL10981021 0.76 APP (0.54) CYP1A2PTGS2ALOX5PTGS1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6237590-B1 Dry powder delivery system apparatus DELSYS PHARMACEUTICAL CORPORATION 2001-05-29 US disclosed
EP-0442180-A1 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-21 EP disclosed
EP-0379286-A2 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-07-25 EP disclosed
US-3982007-A BENZISOTHIAZOLINONE DERIVATIVE, 2-NITROFURYL OR 2-NITROTHIENYL DERIVATIVE, ANTIMICROBIAL SANDOZ LTD. (CH) 1976-09-21 US disclosed