SCHEMBL9494035

SCHEMBL9494035

CCCOc1cccc(C(C)(C)c2cccc(OCCC)c2O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
MCHR1 Q99705 1/20 0.40
CA2 P00918 1/20 0.39
CYP2A6 P11509 1/20 0.39
PTGS1 P23219 1/20 0.38
HIF1A Q16665 2/20 0.38
CHRM2 P08172 2/20 0.38
LMNA P02545 2/20 0.38
CHRM1 P11229 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL4454748 0.86 CA2 (0.42) GRM5CA2ALOX15KDM4EALDH1A1
SCHEMBL27952511 0.84 PTGS1 (0.39) PTGS1HIF1ALMNAKDM4EALDH1A1
SCHEMBL1832182 0.83 ALDH1A1 (0.38) MCHR1CA2HIF1ACHRM2LMNA
SCHEMBL4961982 0.83 MCHR1 (0.47) GRM5MCHR1CYP2A6HIF1ACHRM2
SCHEMBL1052278 0.80 LMNA (0.54) GRM5MCHR1CA2CYP2A6LMNA
SCHEMBL11504710 0.79 GABRA1 (0.57) MCHR1CYP2A6KDM4EKMT2ANPC1
SCHEMBL1264523 0.76 CA2 (0.53) CA2LMNATSHRKDM4EALDH1A1
SCHEMBL10892723 0.76 ALDH1A1 (0.38) CA2HIF1ACHRM2LMNACHRM1
SCHEMBL8717371 0.75 ALOX5 (0.47) GRM5MCHR1CYP2A6LMNAGAA
SCHEMBL9225027 0.75 CYP1A2 (0.55) GRM5MCHR1CYP2A6CHRM2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2537885-B1 Polyester resin composition having good reflectance, heat resistance, yellowing resistance and humidity resistance CHEIL IND INC (KR) 2014-10-08 EP claimed
EP-0256456-B1 PIGMENT COMPOSITION DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 1993-03-10 EP disclosed
US-4767465-A POLYESTER DISPERSANT DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 1988-08-30 US disclosed
EP-0256456-A2 Pigment composition DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 1988-02-24 EP disclosed
EP-0082832-B1 RADIATION AND HEAT CURABLE COMPOSITIONS COMPRISING ISOCYANURIC ACID-ACROLEIN DERIVATIVES MONSANTO COMPANY (US) 1986-02-26 EP disclosed
US-4555319-A Radiation-curable compositions comprising isocyanuric acid-acrolein derivatives MONSANTO COMPANY (US) 1985-11-26 US disclosed
US-4447594-A Heat-curable compositions comprising isocyanuric acid-acrolein derivatives MONSANTO COMPANY (US) 1984-05-08 US disclosed
EP-0082832-A2 Radiation and heat curable compositions comprising isocyanuric acid-acrolein derivatives MONSANTO COMPANY (US) 1983-06-29 EP disclosed