SCHEMBL8313639

SCHEMBL8313639

CCOC(=O)CNCCCOC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.52
GAA P10253 2/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PTGER4 P35408 1/20 0.40
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL8609835 0.89 LTA4H (0.49) LTA4HGAAMGAMSIMGAM2
SCHEMBL16190412 0.85 LTA4H (0.52) LTA4HGAAMGAMSIMGAM2
SCHEMBL7899608 0.84 TSHR (0.48) GAAALDH1A1KMT2ATSHRSMN1; SMN2
SCHEMBL8609294 0.84 LTA4H (0.53) LTA4HGAAMGAMSIMGAM2
SCHEMBL6074966 0.82 GAA (0.50) LTA4HGAAMGAMSIMGAM2
SCHEMBL25798519 0.82 ALDH1A1 (0.46) LTA4HGAAMGAMSIMGAM2
SCHEMBL11183623 0.81 CYP1A2 (0.53) LTA4HGAAMGAMSIMGAM2
SCHEMBL285776 0.81 LTA4H (0.50) LTA4HGAAMGAMSIMGAM2
Bromide SCHEMBL29061339 0.81 GAA (0.48) LTA4HGAAMGAMSIMGAM2
SCHEMBL2213689 0.81 GAA (0.48) LTA4HGAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656349-B1 Amidinophenol derivatives having phospholipase A2 inhibitory activity ONO PHARMACEUTICAL CO (JP) 1998-04-08 EP claimed
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
CN-1033327-C Process for preparing tricyclotriazolo derivatives and their use TORAY INDUSTRIES (JP) 1996-11-20 CN disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed
CN-1066849-A Three ring triazolo derivatives, its Manufacturing approach and use TORAY INDUSTRIES (JP) 1992-12-09 CN disclosed