SCHEMBL4069345

SCHEMBL4069345

O=C(O)c1ccc(Cl)c(O)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.56
TSHR P16473 3/20 0.54
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
CASP1 P29466 1/20 0.48
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
AKR1C2 P52895 4/20 0.47
AKR1C1 Q04828 4/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
SELL P14151 1/20 0.46
SELP P16109 1/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL18529852 0.86 SELL (0.56) DPP4TSHRALDH1A1SMN1; SMN2CASP1
SCHEMBL10533170 0.84 SELL (0.60) DPP4TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL73043 0.82 TSHR (0.54) DPP4TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL3546145 0.82 SELL (0.64) TSHRALDH1A1SMN1; SMN2CASP1KDM4E
SCHEMBL30084375 0.82 TSHR (0.54) DPP4TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL29886586 0.81 TSHR (0.64) DPP4TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL432644 0.81 TSHR (0.64) DPP4TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL4509639 0.80 DPP4 (0.43) DPP4TSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL32690872 0.80 TSHR (0.61) TSHRALDH1A1SMN1; SMN2TP53CASP1
SCHEMBL217628 0.80 TSHR (0.61) TSHRALDH1A1SMN1; SMN2TP53CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737831-A4 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LTD (AU) 2009-07-22 EP disclosed
EP-1737831-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS Prana Biotechnology Limited (AU) 2007-01-03 EP disclosed
WO-2005095360-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2005-10-13 WO disclosed
EP-0741719-A4 INTERMEDIATE AND PROCESS FOR MAKING LILLY CO ELI (US) 1997-04-02 EP disclosed
EP-0741719-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1996-11-13 EP disclosed
EP-0722439-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-07-24 EP disclosed
WO-1995021164-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1995-08-10 WO 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
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
EP-0044205-B1 POLYESTER OF 6-HYDROXY-2-NAPHTHOIC ACID AND METAHYDROXY BENZOIC ACID CAPABLE OF READILY UNDERGOING MELT PROCESSING CELANESE CORPORATION (US) 1985-04-10 EP disclosed
US-4337190-A Polyester of 6-hydroxy-2-naphthoic acid and meta-hydroxy benzoic acid capable of readily undergoing melt processing CELANESE CORPORATION (US) 1982-06-29 US disclosed
EP-0044205-A1 Polyester of 6-hydroxy-2-naphthoic acid and metahydroxy benzoic acid capable of readily undergoing melt processing CELANESE CORPORATION (US) 1982-01-20 EP disclosed