SCHEMBL7569550

SCHEMBL7569550

O=C(NCCN1CCOCC1)NC1CCCCC1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.84
GAA P10253 1/20 0.84
TSHR P16473 1/20 0.61
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
EPHX2 P34913 2/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CNR2 P34972 2/20 0.52
CNR1 P21554 1/20 0.52

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
SCHEMBL12196118 0.92 EPHX1 (1.00) EPHX1GAATSHRALDH1A1EPHX2
SCHEMBL12820462 0.86 EPHX1 (0.64) EPHX1GAATSHRALDH1A1EPHX2
SCHEMBL10153887 0.86 GAA (0.64) EPHX1GAATSHRALDH1A1EPHX2
SCHEMBL19557211 0.82 EPHX1 (0.59) EPHX1GAATSHRALDH1A1KDM4E
SCHEMBL1316752 0.82 RAD52 (0.60) EPHX1GAAALDH1A1KDM4EEPHX2
SCHEMBL843571 0.82 EPHX1 (0.59) EPHX1GAATSHRALDH1A1KDM4E
SCHEMBL3897267 0.81 SMN1; SMN2 (0.60) EPHX1GAATSHRALDH1A1KDM4E
SCHEMBL491868 0.79 EPHX1 (0.79) EPHX1GAAALDH1A1KDM4EEPHX2
SCHEMBL19849348 0.79 ALDH1A1 (0.71) EPHX1GAATSHRALDH1A1KDM4E
SCHEMBL19742394 0.79 SIGMAR1 (0.63) EPHX1GAATSHRALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667529-B1 Non-specific reaction suppressor for immunoassays SERADYN INC (US) 2002-06-05 EP claimed
CN-1111016-A Non-specific reaction inhibitor MITSUBISHI CHEM CORP (JP) 1995-11-01 CN claimed
EP-0604459-A1 Organic nitrates, methods for preparing same and use thereof for treating cardiovascular diseases LABORATOIRES HOECHST S.A. (FR) 1994-07-06 EP disclosed
WO-1993003037-A1 ORGANIC NITRATES, METHODS FOR PREPARING SAME AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES LABORATOIRES HOECHST, SOCIÉTÉ ANONYME (FR) 1993-02-18 WO disclosed