SCHEMBL4969327

SCHEMBL4969327

CCCCCCCCCCc1cc(CCCCCCCCCC)c(O)c(CCCCCCCCCC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.64
CYP3A4 P08684 3/20 0.61
ALOX5 P09917 5/20 0.54
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
TP53 P04637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
SHBG P04278 1/20 0.53
HSPD1 P10809 1/20 0.53
ADRB3 P13945 1/20 0.53
HTR2C P28335 1/20 0.53
HSPE1 P61604 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL17965866 1.00 PTGS2 (0.64) PTGS2CYP3A4ALOX5ESR1ADRA2A
SCHEMBL15867510 1.00 PTGS2 (0.64) PTGS2CYP3A4ALOX5ESR1ADRA2A
SCHEMBL15867513 1.00 PTGS2 (0.64) PTGS2CYP3A4ALOX5ESR1ADRA2A
SCHEMBL199837 1.00 PTGS2 (0.64) PTGS2CYP3A4ALOX5ESR1ADRA2A
SCHEMBL199535 1.00 PTGS2 (0.64) PTGS2CYP3A4ALOX5ESR1ADRA2A
SCHEMBL202874 1.00 PTGS2 (0.64) PTGS2CYP3A4ALOX5ESR1ADRA2A
SCHEMBL11806112 1.00 PTGS2 (0.64) PTGS2CYP3A4ALOX5ESR1ADRA2A
SCHEMBL10885674 1.00 PTGS2 (0.64) PTGS2CYP3A4ALOX5ESR1ADRA2A
SCHEMBL201605 1.00 PTGS2 (0.64) PTGS2CYP3A4ALOX5ESR1ADRA2A
SCHEMBL27980726 1.00 PTGS2 (0.64) PTGS2CYP3A4ALOX5ESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4065362-A Purification of organic isocyanates SUMITOMO BAYER URETHANE CO., LTD. (JA) 1977-12-27 US claimed
CN-102471244-B Process for producing N-substituted carbamate, process for producing isocyanate using the N-substituted carbamate, and composition for transporting and storing N-substituted carbamate containing N-substituted carbamate and aromatic hydroxy compound ASAHI CHEMICAL CORP 2014-09-24 CN disclosed
EP-1460090-B1 PROCESSES FOR PRODUCTION OF POWDERED FLUORORESINS BEARING CURABLE FUNCTIONAL GROUPS AND COATING COMPOSITIONS CONTAINING THE SAME ASAHI GLASS CO LTD (JP) 2008-09-10 EP disclosed
US-7144948-B2 Processes for producing a fluororesin powder having curable functional groups and its coating composition ASAHI GLASS COMPANY, LIMITED (JP) 2006-12-05 US disclosed
US-20040225060-A1 Processes for producing a fluororesin powder having curable functional groups and its coating composition ASAHI GLASS COMPANY LIMITED (JP) 2004-11-11 US disclosed
EP-1460090-A1 PROCESSES FOR PRODUCTION OF POWDERED FLUORORESINS BEARING CURABLE FUNCTIONAL GROUPS AND COATING COMPOSITIONS CONTAINING THE SAME Asahi Glass Company, Limited (JP) 2004-09-22 EP disclosed
US-4065362-A Purification of organic isocyanates SUMITOMO BAYER URETHANE CO., LTD. (JA) 1977-12-27 US disclosed