SCHEMBL8417857

SCHEMBL8417857

CCOC(=O)c1ccc(Cl)c(OCCOC)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
TSHR P16473 3/20 0.43
METTL3 Q86U44 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
IKBKB O14920 1/20 0.38
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL588042 0.87 CYP4F2 (0.46) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL587118 0.86 CYP4F2 (0.51) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL3437219 0.86 CYP4F2 (0.45) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL587498 0.86 CYP4F2 (0.45) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL588132 0.85 CYP4F2 (0.50) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL8993468 0.83 IKBKB (0.42) CYP4F2CYP4A11TSHRCA12CA1
SCHEMBL8993574 0.82 ALDH1A1 (0.44) TSHRKMT2AHSD17B10ALDH1A1MAPK1
SCHEMBL3437148 0.80 IKBKB (0.41) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL6608504 0.79 KMT2A (0.41) CYP4F2CYP4A11KMT2AMEN1ALDH1A1
SCHEMBL587378 0.77 GAA (0.45) CYP4F2CYP4A11BAZ2BBAZ2AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11171829-A None JP disclosed
JP-H11171829-A TRI-SUBSTITUTED BENZOIC ACID INTERMEDIATE ICI AMERICAS INC 1999-06-29 JP disclosed
EP-0369803-B2 Trisubstituted benzoic acid intermediates ZENECA INC (US) 1996-08-14 EP disclosed
EP-0444152-B1 CERTAIN 2-(2',3',4'-TRISUBSTITUTED BENZOYL)-1,3-CYCLOHEXANEDIONES ZENECA INC (US) 1995-06-14 EP disclosed
EP-0444143-B1 TRISUBSTITUTED BENZOIC ACID INTERMEDIATES ZENECA INC (US) 1994-11-30 EP disclosed
US-5075497-A Chemical intermediate for 2-(2,3,4-trisubstitutedbenzoyl)-1,3-cyclohexanedione ICI AMERICAS, INC. (US) 1991-12-24 US disclosed
US-5073642-A Trisubstituted benzoic acid intermediates ICI AMERICAS INC. (US) 1991-12-17 US disclosed
US-5068423-A Intermediates for herbicides 2-(2,3,4-trisubstituted benzoyl)-1,3-cyclohexanediones ICI AMERICAS INC. (US) 1991-11-26 US disclosed
US-5047572-A For 2-*2,3,4-trisubstituted benzoyl)-1,3-cyclohexanedione ICI AMERICAS INC. (US) 1991-09-10 US disclosed
EP-0444152-A1 CERTAIN 2-(2',3',4'-TRISUBSTITUTED BENZOYL)-1,3-CYCLOHEXANEDIONES. ICI AMERICA INC (US) 1991-09-04 EP disclosed
US-5001256-A Trisubstituted benzoic acid intermediates ICI AMERICAS INC. (US) 1991-03-19 US disclosed
US-4957538-A HERBICIDES ICI AMERICAS INC. (US) 1990-09-18 US disclosed
WO-1990005715-A1 TRISUBSTITUTED BENZOIC ACID INTERMEDIATES ICI AMERICAS INC. (US) 1990-05-31 WO disclosed
WO-1990005712-A1 CERTAIN 2-(2',3',4'-TRISUBSTITUTED BENZOYL)-1,3-CYCLOHEXANEDIONES ICI AMERICAS INC. (US) 1990-05-31 WO disclosed
EP-0369803-A1 Trisubstituted benzoic acid intermediates ZENECA INC. (US) 1990-05-23 EP disclosed