SCHEMBL71432

SCHEMBL71432

O=C(O)c1cccc(OOCl)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.61
KMO O15229 1/20 0.56
NR4A2 P43354 8/20 0.53
KMT2A Q03164 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA6 P23280 1/20 0.48
CA9 Q16790 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
Water SCHEMBL27971095 0.98 AKR1C3 (0.59) AKR1C3KMONR4A2KMT2AMRGPRX4
Toluene SCHEMBL28189299 0.90 AKR1C3 (0.56) AKR1C3KMONR4A2KMT2AMRGPRX4
SCHEMBL16792377 0.90 AKR1C3 (0.51) AKR1C3KMONR4A2KMT2AMRGPRX4
SCHEMBL1941132 0.89 AKR1C3 (0.58) AKR1C3KMONR4A2KMT2AMRGPRX4
SCHEMBL11000519 0.89 AKR1C3 (0.54) AKR1C3KMONR4A2KMT2AMRGPRX4
Ethyl Acetate SCHEMBL5560814 0.85 KMT2A (0.51) AKR1C3KMONR4A2KMT2AMRGPRX4
SCHEMBL28598896 0.85 TSHR (0.44) AKR1C3KMONR4A2KMT2AMRGPRX4
SCHEMBL29118338 0.84 AKR1C3 (0.71) AKR1C3KMONR4A2KMT2AMRGPRX4
SCHEMBL30517803 0.84 AKR1C3 (0.66) AKR1C3KMONR4A2KMT2AMRGPRX4
SCHEMBL5235780 0.84 AKR1C3 (0.66) AKR1C3KMONR4A2KMT2AMRGPRX4

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

Appears in 2041 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111909060-A Preparation process of N- (2-acetamido) -2-aminoethanesulfonic acid 苏州亚科科技股份有限公司 2020-11-10 CN claimed
CN-108727521-A A kind of preparation method of polymerization inhibitor 雷春生 2018-11-02 CN claimed
CN-105061463-B A kind of nine yuan of fused-ring derivatives and its synthetic method and application 华南理工大学 2018-09-14 CN claimed
CN-107903283-A By trimethyl(Vinyl)The method that silane synthesizes 2 phenyl, 2 trimethyl silicon substrate chloroacetic chloride 武汉药明康德新药开发有限公司 2018-04-13 CN claimed
CN-105949412-B A kind of preparation method and application of the block polymer containing TEMPO 河北科技大学 2018-04-10 CN claimed
CN-107721189-A High-k zirconia nanocrystals body/polyimide composite film and preparation method thereof 嘉兴学院 2018-02-23 CN claimed
CN-107629313-A A kind of car deceleration device rubber parts 无为县大江橡塑制品有限公司 2018-01-26 CN claimed
CN-107531672-A CHEMICAL PROCESS FOR PREPARING PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF 诺华股份有限公司 2018-01-02 CN claimed
CN-107428688-A Efficient Synthesis of Carbazole Derivatives 汉阳大学校ERICA产学协力团 2017-12-01 CN claimed
CN-105646300-B A kind of preparation method of the 2 pungent naphthoquinones of sulfoxide 1,4 黑龙江八农垦大学 2017-11-10 CN claimed
WO-2002095098-A1 MODIFICATION OF CARBON NANOTUBES BY OXIDATION WITH PEROXYGEN COMPOUNDS HYPERION CATALYSIS INTERNATIONAL, INC. (US) 2002-11-28 WO claimed
EP-1095037-B1 PROCESS OF SYNTHESIS OF 5-METHOXY- 2- (4-METHOXY- 3,5-DIMETHYL- 2-PYRIDYL)METHYL]SULFINYL-1H-BENZIMIDAZOLE LEK TOVARNA FARMACEVTSKIH (SI) 2002-04-17 EP claimed
CN-1040980-C Second messenger cell signaling inhibitors CELL THERAPEUTICS INC (US) 1998-12-02 CN claimed
US-5571907-A EPOXIDATION OF ALLYL SACCHARIDES HAWAIIAN SUGAR PLANTERS' ASSOCIATION (US) 1996-11-05 US claimed
EP-0395357-B1 Polyamines useful as antagonists of excitatory amino acid neurotransmitters and/or as blockers of calcium channels PFIZER (US) 1995-12-20 EP claimed
EP-0533752-A1 IMPROVED METHOD FOR SYNTHESIS Astra Aktiebolag (SE) 1993-03-31 EP claimed
WO-1991018895-A1 IMPROVED METHOD FOR SYNTHESIS AKTIEBOLAGET ASTRA (SE) 1991-12-12 WO claimed
EP-0240164-A2 Preparation of azetidinones SCHERING CORPORATION (US) 1987-10-07 EP claimed
US-4119625-A Process for the manufacture of steroid carboxylic acids and the esters thereof CIBA-GEIGY CORPORATION (US) 1978-10-10 US claimed
US-3950404-A Method for preparation of sulfinic acids GESELLSCHAFT FUR KERNFORSCHUNG MBH (DT) 1976-04-13 US claimed