SCHEMBL8446335

SCHEMBL8446335

CCCCCCCC(=O)OCCBr

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.77
DNM1 Q05193 1/20 0.62
PAM P19021 2/20 0.58
TSHR P16473 1/20 0.55
MAPT P10636 1/20 0.55
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
NAAA Q02083 1/20 0.53
LMNA P02545 4/20 0.53
FAAH O00519 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 1/20 0.51
DUSP3 P51452 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR2C P28335 1/20 0.51

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
SCHEMBL2258536 1.00 DGKA (0.77) DGKADNM1PAMTSHRMAPT
SCHEMBL11791762 1.00 DGKA (0.77) DGKADNM1PAMTSHRMAPT
SCHEMBL2255829 1.00 DGKA (0.77) DGKADNM1PAMTSHRMAPT
SCHEMBL2256036 1.00 DGKA (0.77) DGKADNM1PAMTSHRMAPT
SCHEMBL8446365 1.00 DGKA (0.77) DGKADNM1PAMTSHRMAPT
SCHEMBL11791792 0.98 DGKA (0.73) DGKADNM1PAMTSHRMAPT
SCHEMBL8444514 0.92 DGKA (0.77) DGKADNM1PAMTSHRMAPT
SCHEMBL20589564 0.92 DGKA (0.77) DGKADNM1PAMTSHRMAPT
SCHEMBL20588857 0.92 DGKA (0.77) DGKADNM1PAMTSHRMAPT
SCHEMBL11786268 0.92 DGKA (0.63) DGKADNM1PAMTSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103910741-A Bisbenzylisoquinoline betaine as well as preparation method thereof and application thereof in preparation of anti-tumor medicament UNIV SHANDONG NORMAL 2014-07-09 CN claimed
WO-2017208088-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2017-12-07 WO disclosed
WO-2017208088-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2017-12-07 WO disclosed
EP-0766691-B1 HYDROXYALKYLAMMONIUM-PYRIMIDINES OR PURINES AND NUCLEOSIDE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES MACRONEX INC (US) 1999-11-10 EP disclosed
US-5679684-A INTIINFLAMMATORY AGENTS, ANTIARTHRITIS AGENTS, NERVOUS SYSTEM DISORDERS, AIDS MACRONEX, INC. (US) 1997-10-21 US disclosed
EP-0766691-A1 HYDROXYALKYLAMMONIUM-PYRIMIDINES OR PURINES AND NUCLEOSIDE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES MACRONEX, INC. (US) 1997-04-09 EP disclosed
US-5550132-A TREATING SEPTIC SHOCK, CACHEXIA, RHEUMATOID ARTHRITIS, INFLAMMATORY BOWEL DISEASE, MULTIPLE SCLEROSIS, AIDS UNIVERSITY OF NORTH CAROLINA (US) 1996-08-27 US disclosed
WO-1995035304-A1 HYDROXYALKYLAMMONIUM-PYRIMIDINES OR PURINES AND NUCLEOSIDE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES MACRONEX, INC. (US) 1995-12-28 WO disclosed
US-4148915-A ARTERIOSCLEROSIS AND HYPERLIPEMIA TREATMENT DIURETICS, ANTICHOLESTEROL AND ANTILIPEMIC ALBERT ROLLAND, S.A. (FR) 1979-04-10 US disclosed
US-3970678-A Organotin mercaptide process CINCINNATI MILACRON CHEMICALS, INC. (US) 1976-07-20 US disclosed