SCHEMBL8444514

SCHEMBL8444514

CCCCCCCCCCCCCCCC(=O)OCCCBr

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.77
DNM1 Q05193 1/20 0.62
NAAA Q02083 1/20 0.59
PRSS1 P07477 1/20 0.58
PRSS2 P07478 1/20 0.58
PRSS3 P35030 1/20 0.58
PAM P19021 2/20 0.58
FAAH O00519 1/20 0.58
HTR2C P28335 1/20 0.56
TSHR P16473 1/20 0.55
MAPT P10636 1/20 0.55
LMNA P02545 3/20 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

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
SCHEMBL20589564 1.00 DGKA (0.77) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL20588857 1.00 DGKA (0.77) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL19032525 0.98 DGKA (0.73) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL25120998 0.94 DGKA (0.74) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL25259134 0.94 DGKA (0.74) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL25181489 0.94 DGKA (0.74) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL24588753 0.94 DGKA (0.74) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL23605993 0.94 DGKA (0.74) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL24573011 0.94 DGKA (0.74) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL25342186 0.94 DGKA (0.74) DGKADNM1NAAAPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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