SCHEMBL3789551

SCHEMBL3789551

CC(OC(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
BRD4 O60885 1/20 0.44
FFAR2 O15552 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
GABBR2 O75899 3/20 0.40
GABBR1 Q9UBS5 3/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
NFKB1 P19838 1/20 0.40
DRD3 P35462 1/20 0.40
BLM P54132 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL514895 0.82 ALOX5 (0.50) KMT2ALMNAALDH1A1CYP2C19HCAR2
SCHEMBL1283491 0.82 BRD4 (0.50) ADRB2BRD4FFAR2MEN1KMT2A
SCHEMBL22772305 0.82 ESR1 (0.46) LMNACYP2C9CYP1A2CYP3A4ADORA3
SCHEMBL514412 0.82 HCAR2 (0.40) LMNACYP2C9CYP1A2ALDH1A1CYP3A4
SCHEMBL136981 0.82 FFAR2 (0.49) ADRB2BRD4FFAR2MEN1KMT2A
SCHEMBL5823639 0.81 ALOX5 (0.51) MEN1KMT2ACYP1A2ALDH1A1CYP2D6
SCHEMBL21612915 0.81 ALOX5 (0.51) MEN1KMT2ACYP1A2ALDH1A1CYP2D6
SCHEMBL29140774 0.81 ALOX5 (0.51) MEN1KMT2ACYP1A2ALDH1A1CYP2D6
SCHEMBL513778 0.81 ACACB (0.40) LMNACYP2C9TSHRHCAR2
SCHEMBL28649908 0.81 ALDH1A1 (0.41) HDAC4HDAC7HDAC5ALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1492762-A Azoles as malonyl-COA decarboxylase inhibitors useful as metabolic modulators ������ҩ��ʽ���� 2004-04-28 CN claimed
EP-2414420-B1 CO-CRYSTALLIZABLE DIACETYLENIC MONOMER COMPOSITIONS, CRYSTAL PHASES AND MIXTURES, AND RELATED METHODS TEMPTIME CORP (US) 2015-07-08 EP disclosed
WO-2010114752-A1 CO-CRYSTALLIZABLE DIACETYLENIC MONOMER COMPOSITIONS, CRYSTAL PHASES AND MIXTURES, AND RELATED METHODS TEMPTIME CORPORATION (US) 2010-10-07 WO disclosed
US-5552386-A COMPOUNDS FOR BACTERICIDES OR ANTIPROTOZOA AGENTS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5314875-A Method for treating swine dysentery with the derivatives of the antibiotic A82810 ELI LILLY AND COMPANY (US) 1994-05-24 US disclosed
EP-0341019-B1 POLYETHER ANTIBIOTIC ELI LILLY AND COMPANY (US) 1993-01-13 EP disclosed
EP-0184291-B1 POLYETHER ANTIBIOTIC A80190 ELI LILLY AND COMPANY (US) 1992-05-27 EP disclosed
US-5098834-A Polyether antibiotics as bactericides and anticoccidial agents ELI LILLY AND COMPANY (US) 1992-03-24 US disclosed
EP-0341019-A2 Polyether antibiotic ELI LILLY AND COMPANY (US) 1989-11-08 EP disclosed
US-4683201-A Antibiotic A80190-producing Actinomadura oligospora and process ELI LILLY AND COMPANY (US) 1987-07-28 US disclosed
CN-85108210-A Preparation A80190 antibiotic method 1986-12-03 CN disclosed
EP-0184291-A2 Polyether antibiotic A80190 ELI LILLY AND COMPANY (US) 1986-06-11 EP disclosed
US-4582822-A ANIMAL FEED ADDITIVES ELI LILLY AND COMPANY (US) 1986-04-15 US disclosed
EP-0036899-B1 THERMOCHROMIC POLYACETYLENIC COMPOSITION, PROCESS THEREFOR, TEMPERATURE MEASURING AND INDICIA DISPLAYING DEVICES AND PROCESS FOR RECORDING AND THEREAFTER ERASING IMAGES ALLIED CORPORATION (US) 1984-08-01 EP disclosed
US-4339951-A Tempeature measurement and display of indicia using thermochromic polyacetylenes ALLIED CORPORATION (US) 1982-07-20 US disclosed
US-4294925-A FERMENTATION, AEROBIC PROCESSES HOFFMANN-LA ROCHE INC. (US) 1981-10-13 US disclosed
EP-0036899-A1 Thermochromic polyacetylenic composition, process therefor, temperature measuring and indicia displaying devices and process for recording and thereafter erasing images ALLIED CORPORATION (US) 1981-10-07 EP disclosed
US-4263427-A REACTING HYDROXYL WITH ISOCYANATE TO OBTAIN ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1981-04-21 US disclosed
US-4242440-A Thermochromic polyacetylenes used in laser beam recording method ALLIED CHEMICAL CORPORATION (US) 1980-12-30 US disclosed
US-4215208-A Thermochromic polyacetylenes containing urethane groups ALLIED CHEMICAL CORPORATION (US) 1980-07-29 US disclosed