SCHEMBL3947199

SCHEMBL3947199

O=C(CBr)c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
PTGS2 P35354 2/20 0.52
CA12 O43570 1/20 0.52
ALOX5 P09917 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
KLKB1 P03952 1/20 0.52
CTSB P07858 1/20 0.52
MMP9 P14780 1/20 0.52
DNMT1 P26358 1/20 0.52
DNMT3B Q9UBC3 1/20 0.52
DNMT3L Q9UJW3 1/20 0.52
DNMT3A Q9Y6K1 1/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDR P35968 2/20 0.48
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL5351577 0.85 CA1 (0.53) PTPN1CA1CA2PTGS2CA12
SCHEMBL1809513 0.84 PTPN1 (0.50) PTPN1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1360224 0.81 KDM4E (0.53) PTPN1CA1CA2PTGS2CA12
SCHEMBL1576999 0.81 CSNK2A1 (0.53) PTPN1CA1CA2PTGS2CA12
SCHEMBL11447833 0.81 CA1 (0.52) PTPN1CA1CA2PTGS2CA12
SCHEMBL1405708 0.81 CA1 (0.53) PTPN1CA1CA2PTGS2CA12
SCHEMBL8343669 0.80 PTPN1 (0.59) PTPN1CA1CA2PTGS2CA12
SCHEMBL6064903 0.80 CA1 (0.52) PTPN1CA1CA2PTGS2CA12
SCHEMBL10652712 0.80 KMT2A (0.50) CA1CA2PTGS2CA12ALOX5
SCHEMBL18398130 0.80 GSK3B (0.53) PTPN1CTSBKDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551865-B1 HYBRID MOLECULES OF MACROLIDES WITH STEROIDAL/NON-STEROIDAL ANTI-INFLAMMATORY MOLECULES GLAXOSMITHKLINE ZAGREB (HR) 2009-04-22 EP claimed
JP-55040645-A None JP disclosed
US-5091422-A Treating inflammatory or allergic skin disease, lowering gastric acidity GLAXO GROUP LIMITED (GB) 1992-02-25 US disclosed
US-4987133-A Salicylic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-22 US disclosed
EP-0338352-A2 Salicylic acid derivatives MERCK PATENT GmbH (DE) 1989-10-25 EP disclosed
US-4290954-A ANTIALLERGENS, ANTIANAPHYLACTIC AGENTS, ANALGESICS, ANTIINFLAMMATORY AGENTS KOWA COMPANY LIMITED (JP) 1981-09-22 US disclosed
US-4255575-A HYPOTENSIVE, ANTISPASMODIC, ADRENERGIC BLOCKING AGENTS RICHARDSON-MERRELL INC. (US) 1981-03-10 US disclosed
US-4206125-A ADENERGIC BLOCKING AGENTS, HYPOTENSIVES RICHARDSON-MERRELL INC. (US) 1980-06-03 US disclosed
US-4200755-A ADRENERGIC BLOCKING AGENTS, ANTISPASMODIC AGENTS, HYPOTENSIVE AGENTS RICHARDSON-MERRELL INC. (US) 1980-04-29 US disclosed
JP-S5540645-A BENZOPYRONE DERIVATIVE KOWA CO 1980-03-22 JP disclosed
JP-S05540645-A 0001-01-01 JP disclosed