SCHEMBL8034175

SCHEMBL8034175

C=CC(=O)OCCOc1ccc(CC(C)(C)c2ccc(OCCOC(=O)C=C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.57
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 3/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 6/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
THRA P10827 1/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
GAA P10253 1/20 0.38
ACACB O00763 2/20 0.38
PPARG P37231 1/20 0.37
NR4A2 P43354 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
SCHEMBL14574017 0.88 THRB (0.61) THRBCYP3A4TSHRHPGDALDH1A1
SCHEMBL3880984 0.86 THRB (0.60) THRBCYP3A4TSHRHPGDALDH1A1
SCHEMBL9174795 0.86 THRB (0.56) THRBSMN1; SMN2TSHRHPGDALDH1A1
SCHEMBL12039352 0.85 THRB (0.65) THRBSMN1; SMN2TSHRHPGDALDH1A1
SCHEMBL13588349 0.85 THRB (0.65) THRBSMN1; SMN2CYP3A4TSHRHPGD
SCHEMBL137572 0.85 THRB (0.65) THRBSMN1; SMN2TSHRHPGDALDH1A1
SCHEMBL14173110 0.85 THRB (0.65) THRBSMN1; SMN2TSHRHPGDALDH1A1
SCHEMBL14749607 0.84 THRB (0.57) THRBSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL196997 0.84 THRB (0.57) THRBSMN1; SMN2CYP3A4TSHRHPGD
SCHEMBL9819239 0.84 THRB (0.53) THRBSMN1; SMN2TSHRHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985165-A1 IONIC HALOMETHYL-1,3,5-TRIAZINE PHOTOINITIATORS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-03-15 EP disclosed
US-5847133-A Ionic halomethyl-1,3,5-triazine photoinitiators MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-12-08 US disclosed
WO-1998053369-A1 IONIC HALOMETHYL-1,3,5-TRIAZINE PHOTOINITIATORS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-11-26 WO disclosed
US-5387682-A A photoinitiators, a polytriazines chemical intermediates; photosensitivity, photopolymerizable MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-02-07 US disclosed
EP-0109866-B1 SULFONYL UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR (FR) 1987-08-19 EP disclosed
US-4636459-A PHOTOINITIATOR AND UNSATURATED MONOMER; PRINTING PLATES FUJI PHOTO FILM CO., LTD. (JP) 1987-01-13 US disclosed