SCHEMBL11513669

SCHEMBL11513669

CCCCCC(/C=C/CBr)OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.43
GALR3 O60755 1/20 0.42
FAAH O00519 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36

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
SCHEMBL11513673 1.00 PDE4D (0.43) PDE4DGALR3FAAHMEN1KMT2A
SCHEMBL17633873 0.85 GALR3 (0.42) PDE4DGALR3FAAHMEN1KMT2A
SCHEMBL17633875 0.85 GALR3 (0.42) PDE4DGALR3FAAHMEN1KMT2A
SCHEMBL30368256 0.84 GALR3 (0.47) PDE4DGALR3MEN1KMT2A
SCHEMBL28608269 0.84 GALR3 (0.42) PDE4DGALR3FAAHMEN1KMT2A
SCHEMBL29259205 0.84 MEN1 (0.50) PDE4DGALR3MEN1KMT2A
SCHEMBL11516139 0.81 GALR3 (0.41) PDE4DGALR3FAAHMEN1KMT2A
SCHEMBL11775820 0.81 GALR3 (0.41) PDE4DGALR3FAAHMEN1KMT2A
SCHEMBL11775809 0.81 GALR3 (0.41) PDE4DGALR3FAAHMEN1KMT2A
SCHEMBL11516146 0.81 GALR3 (0.41) PDE4DGALR3FAAHMEN1KMT2A

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
US-4175203-A TREATMENT OF RENAL FAILURE AND TRANSPLANT REJECTION VASODILATORS MERCK & CO., INC. (US) 1979-11-20 US disclosed
US-4155908-A PSORIASIS, ANTICOAGULANTS MERCK & CO., INC. (US) 1979-05-22 US disclosed
US-4150235-A ANTIBODY INHIBITORS, HYPOTENSIVE AGENTS, DIURETICS, VASODILATOR MERCK & CO., INC. (US) 1979-04-17 US disclosed
US-4140861-A RENAL DISFUNCTION, ANTIBODY INHIBITORS MERCK & CO., INC. (US) 1979-02-20 US disclosed
US-4128564-A 9-Thia- and oxothia- and 9-dioxothia-11,12-seco-prostaglandins MERCK & CO., INC. (US) 1978-12-05 US disclosed
US-4112236-A Interphenylene 8-aza-9-dioxothia-11,12-secoprostaglandins MERCK & CO., INC. (US) 1978-09-05 US disclosed
US-4097504-A 11,12-Secoprostaglandins MERCK & CO., INC. (US) 1978-06-27 US disclosed
US-4092356-A 11,12-Secoprostaglandins MERCK & CO., INC. (US) 1978-05-30 US disclosed
US-4091107-A RENAL VASODILATORS, ANTICLOTTING AGENTS, GROWTH HORMONE RELEASE, REGULATORS OF IMMUNE RESPONSE MERCK & CO., INC. (US) 1978-05-23 US disclosed
US-4085125-A 9-Thia-, 9-oxothia-, and 9-dioxothia-11,12-seco-prostaglandins and processes MERCK & CO., INC. (US) 1978-04-18 US disclosed
US-4066692-A 11,12-SECOPROSTAGLANDINS MERCK & CO., INC. (US) 1978-01-03 US disclosed
US-4066675-A PSORIASIS, THROMBOSIS MERCK & CO., INC. (US) 1978-01-03 US disclosed
US-4033996-A RENAL VASODILATORS, ANTITHROMBOSIS, GROWTH HORMONE RELEASING MERCK & CO., INC. (US) 1977-07-05 US disclosed
US-4018802-A SKIN DISEASES, GROWTH HORMONE STIMULANTS, THROMBUS PREVENTION, IMMUNOLOGY MERCK & CO., INC. (US) 1977-04-19 US disclosed
US-3989749-A RENAL VASODILATORS, ANTITHROMBUS MERCK & CO., INC. (US) 1976-11-02 US disclosed
US-3987091-A RENAL VASODILATORS MERCK & CO., INC. (US) 1976-10-19 US disclosed