SCHEMBL9253553

SCHEMBL9253553

Cc1cc(C(=O)c2ccc(Cl)cc2)cc(C)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
CNR1 P21554 3/20 0.54
CNR2 P34972 2/20 0.54
SRD5A2 P31213 1/20 0.53
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HPGD P15428 1/20 0.52
ALOX5 P09917 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
SIRT1 Q96EB6 1/20 0.47
LMNA P02545 2/20 0.45

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
SCHEMBL10350236 0.90 HTT (0.61) CNR1CNR2SRD5A2HTTSMN1; SMN2
SCHEMBL9012657 0.84 HTT (0.71) MAPK1SRD5A2HTTSMN1; SMN2HPGD
SCHEMBL11345098 0.84 HTT (0.55) CNR1CNR2SRD5A2HTTSMN1; SMN2
SCHEMBL13057523 0.84 ALDH1A1 (0.67) CNR1CNR2SRD5A2HTTSMN1; SMN2
SCHEMBL1448473 0.83 CA1 (0.52) HTTSMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL15851085 0.83 HSD17B1 (0.58) MAPK1CNR1CNR2SRD5A2HTT
SCHEMBL11278601 0.82 HTT (0.69) MAPK1CNR1CNR2SRD5A2HTT
SCHEMBL12274592 0.81 SRD5A2 (0.70) MAPK1CNR1CNR2SRD5A2HTT
SCHEMBL28104657 0.81 CA1 (0.50) HTTSMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL10800737 0.81 PTGS1 (0.57) MAPK1HTTSMN1; SMN2HPGDALOX5

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
US-5395914-A Nucleophilic polycondensation of hydroxy halogen xanthones HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-07 US disclosed
EP-0571883-A1 Polyarylethers with xanthone units, method for their production and their application HOECHST AKTIENGESELLSCHAFT (DE) 1993-12-01 EP disclosed
US-4703102-A HEAT AND CHEMICAL RESISTANCE, MELT PROCESSABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-10-27 US disclosed
US-4554371-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS SOCIETE DE RECHERCHES INDUSTRIELLES S.O.R.I. (FR) 1985-11-19 US disclosed
US-4238492-A ANTILIPEMIC AGENTS SOCIETE DE RECHERCHES INDUSTRIELLES S.O.R.I. (FR) 1980-12-09 US disclosed