SCHEMBL8770848

SCHEMBL8770848

N=C(N)NCCCNC(=O)CCCCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.50
PRMT1 Q99873 1/20 0.50
ITGB3 P05106 5/20 0.49
ITGA2B P08514 5/20 0.49
ADRA1A P35348 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
FAAH O00519 2/20 0.42
MAPK1 P28482 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL26870168 0.96 PRMT1 (0.55) EPHX2PRMT1ITGB3ITGA2BADRA1A
SCHEMBL3986924 0.96 PRMT1 (0.55) EPHX2PRMT1ITGB3ITGA2BADRA1A
SCHEMBL8770877 0.96 PRMT1 (0.55) EPHX2PRMT1ITGB3ITGA2BADRA1A
Dodecanoate SCHEMBL2900244 0.92 EPHX2 (0.62) EPHX2KDM4ETSHRFAAHCNR1
SCHEMBL20999515 0.91 ITGB3 (0.54) EPHX2PRMT1ITGB3ITGA2BADRA1A
Dodecanoate SCHEMBL6938811 0.89 EPHX2 (0.67) EPHX2KDM4EFAAHCNR1CNR2
SCHEMBL5538332 0.89 PRMT1 (0.63) EPHX2PRMT1ITGB3ITGA2BADRA1A
SCHEMBL5535532 0.89 PRMT1 (0.63) EPHX2PRMT1ITGB3ITGA2BADRA1A
SCHEMBL5533492 0.89 PRMT1 (0.63) EPHX2PRMT1ITGB3ITGA2BADRA1A
SCHEMBL5533323 0.89 PRMT1 (0.63) EPHX2PRMT1ITGB3ITGA2BADRA1A

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-0617705-B1 NON-PEPTIDIC SURROGATES OF THE ARG-GLY-ASP SEQUENCE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RES & DEV (IL) 1997-09-24 EP disclosed
US-5519005-A GUANIDINE TERMINATED PEPTIDES FOR TREATMENT OF THROMBOSIS, ANTITUMOR AGENTS, AUTOIMMUNE DISEASES AND IMMUNOLOGY YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1996-05-21 US disclosed
EP-0617705-A4 NON-PEPTIDIC SURROGATES OF THE ARG-GLY-ASP SEQUENCE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM. YEDA RES & DEV (IL) 1994-12-28 EP disclosed
EP-0617705-A1 NON-PEPTIDIC SURROGATES OF THE ARG-GLY-ASP SEQUENCE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM. YEDA RES & DEV (IL) 1994-10-05 EP disclosed
US-5352667-A Inhibit cell adhesion YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1994-10-04 US disclosed
WO-1993009795-A1 NON-PEPTIDIC SURROGATES OF THE ARG-GLY-ASP SEQUENCE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1993-05-27 WO disclosed