SCHEMBL4848778

SCHEMBL4848778

N#Cc1ccc(CC23CCCN2C(=O)N(c2cc(Cl)c(NC(=O)OCc4ccccc4)c(Cl)c2)C3=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
SCD O00767 2/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34

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
SCHEMBL4847327 0.85 CYP2D6 (0.38) CYP3A4TSHRALDH1A1CYP2C9USP2
SCHEMBL4850402 0.79 HSD11B1 (0.36) SMN1; SMN2CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL4845276 0.79 ITGAL (0.42) ITGB2ICAM1ITGAL
SCHEMBL4850447 0.78 MCHR1 (0.38) CYP3A4TSHRALDH1A1CYP2C9USP2
SCHEMBL4848463 0.78 HSD11B1 (0.37) SMN1; SMN2CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL4847423 0.75 ITGAL (0.38) SMN1; SMN2CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL16349444 0.74 ITGAL (0.35) CYP3A4TSHRALDH1A1CYP2C9CYP2D6
SCHEMBL14254855 0.74 ITGAL (0.46) TSHRITGB2ICAM1ITGAL
SCHEMBL4850520 0.74 ITGAL (0.38) L3MBTL1ITGB2ICAM1ITGAL
SCHEMBL14264113 0.73 TSHR (0.37) CYP3A4TSHRALDH1A1CYP2D6ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-6897225-B1 Inhibitors of αLβ2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-05-24 US disclosed
EP-1307455-B1 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2005-04-06 EP disclosed
EP-1307455-A2 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-05-07 EP disclosed
WO-2001030781-A2 INHIBITORS OF αLβ2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-05-03 WO disclosed