SCHEMBL6576802

SCHEMBL6576802

CC(C)c1[c]ccc(C(C)(C)c2cc[c]c(C(C)C)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.34
ESR1 P03372 2/20 0.33
ALOX15 P16050 2/20 0.32
ALOX12 P18054 2/20 0.32
ESR2 Q92731 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
RECQL P46063 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3095215 0.82 PDE2A (0.41) ALDH1A1TSHR
SCHEMBL4580414 0.71 ESR1 (0.41) ESR1ALOX15ALOX12ESR2ALDH1A1
SCHEMBL1776424 0.71 TRPA1 (0.35) TDP1
SCHEMBL677008 0.71 LMNA (0.37) ALOX15ALOX12ALDH1A1CYP3A4HPGD
SCHEMBL207770 0.70 LMNA (0.33) CYP3A4
SCHEMBL11502201 0.70 ESR1 (0.45) RORCESR1ALOX15ALOX12ESR2
SCHEMBL7864443 0.70 GABRA1 (0.32)
SCHEMBL207542 0.70 GABRA1 (0.32) ALDH1A1
SCHEMBL7571742 0.70 ESR1 (0.35) ESR1ALOX15ALOX12ESR2ALDH1A1
SCHEMBL10612043 0.70 ESR1 (0.31) ESR1ALOX15ALOX12ESR2ALDH1A1

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-1044227-B1 PARTIALLY POLYMERIZED MIXTURE OF DIETHYLENE GLYCOL (ALLYL CARBONATE) COMPOUNDS PPG IND OHIO INC (US) 2004-04-28 EP disclosed
EP-1044228-B1 PROCESS FOR FORMING POLY(ALLYL CARBONATE)-FUNCTIONAL PREPOLYMER COMPOSITION PPG IND OHIO INC (US) 2002-07-10 EP disclosed
US-6057411-A HEATING ALLYL CARBONATE WITH FREE RADICAL INITIATOR FOR POLYMERIZATION PPG INDUSTRIES OHIO, INC. (US) 2000-05-02 US disclosed
US-5952441-A LOW SHRINKAGE IN THE MOLD BY ADDING A PREPOLYMER COMPRISING PARTIAL POLYMERIZED ETHYLENIC DOUBLE BONDS PPG INDUSTRIES OHIO, INC. (US) 1999-09-14 US disclosed
US-4927553-A LUBRICANT CONTAINING BORONATED PHENOLIC ANTIOXIDANT AND ANTI-HAZE DIOL ETHYL CORPORATION (US) 1990-05-22 US disclosed
US-4623360-A ANTICOKING, ORGANIC NITRATES AND BORATED PHENOLIC COMPOUND ETHYL CORPORATION (US) 1986-11-18 US disclosed