SCHEMBL7439413

SCHEMBL7439413

CCOC(=O)c1ccc(OC)c(OC)c1CBr

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CDC25B P30305 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
DPP4 P27487 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 1/20 0.42
HSD17B2 P37059 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PLK1 P53350 1/20 0.41

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
SCHEMBL28764379 0.89 MAPT (0.44) MAPTLMNAGAATSHRMEN1
SCHEMBL6613660 0.83 KMT2A (0.59) MAPTLMNAGAATSHRMEN1
SCHEMBL7348961 0.81 MAPT (0.60) MAPTLMNACDC25BTDP1PKM
SCHEMBL7437362 0.81 LMNA (0.55) MAPTLMNAGAATSHRMEN1
SCHEMBL4823776 0.80 MAPT (0.49) MAPTLMNAGAATSHRMEN1
SCHEMBL7441154 0.80 TUBB4A (0.48) MAPTLMNAGAAMEN1KMT2A
SCHEMBL3470803 0.79 MEN1 (0.52) MAPTLMNAGAATSHRMEN1
SCHEMBL7851443 0.79 MAPT (0.50) MAPTLMNAGAATSHRMEN1
SCHEMBL7535764 0.79 TSHR (0.47) MAPTLMNAGAATSHRMEN1
SCHEMBL28764382 0.78 MAPT (0.44) MAPTLMNAGAATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773612-A VASOPRESSIN OR OXYTOCIN RECEPTORS SANOFI (FR) 1998-06-30 US disclosed
US-5696145-A VASOPRESSIN AND OXYTOCIN RECEPTOR SANOFI (FR) 1997-12-09 US disclosed
US-5618833-A USEFUL FOR TREATING OR PREVENTING VASOPRESSIN OR OXYTOCIN DEPENDANT COMPLAINTS SANOFI (FR) 1997-04-08 US disclosed
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 US disclosed
EP-0292202-B1 2-(3,4-DIHYDROXYPHENYL ETHYL AMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL COMPOUNDS FISONS plc (GB) 1992-09-02 EP disclosed
US-4939147-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC. (GB) 1990-07-03 US disclosed
US-4922022-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC (GB) 1990-05-01 US disclosed
EP-0314725-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS plc (GB) 1989-05-10 EP disclosed
WO-1988009326-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS PLC (GB) 1988-12-01 WO disclosed
EP-0292202-A1 2-(3,4-Dihydroxyphenyl ethyl amines, their preparation and use as pharmaceutical compounds FISONS plc (GB) 1988-11-23 EP disclosed
US-4410699-A ANALGESICS, ANTICONVULSANTS, HYPOTENSIVE AGENTS, DIURETICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-10-18 US disclosed
EP-0071919-A2 Spiro(benzofuran-2(3H),4'(2'H)-isoquinoline)s, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-02-16 EP disclosed
US-4374137-A ANALGESIC, ANTICONVULSANT, HYPOTENSIVE, DIURETIC HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-02-15 US disclosed