SCHEMBL6989313

SCHEMBL6989313

CCOc1cccc(CCN(CCc2cccc(OCC)c2)C(=O)c2cc(C(=O)O)ccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MRGPRX4 Q96LA9 2/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
CYP2D6 P10635 2/20 0.43
ROCK2 O75116 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ROCK1 Q13464 1/20 0.43
LPAR1 Q92633 2/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL6989317 0.93 SMN1; SMN2 (0.47) SMN1; SMN2USP2POLBLTB4RLTB4R2
SCHEMBL6986947 0.90 LPAR1 (0.51) SMN1; SMN2MRGPRX4TP53PKMNFKB1
SCHEMBL6986949 0.83 SLC2A1 (0.48) POLBLPAR1LPAR5PTGDR2
SCHEMBL6239722 0.80 KDM5B (0.49) RXRARXRBLPAR1KDM5BKDM4E
SCHEMBL6990109 0.80 LPAR1 (0.53) SMN1; SMN2MRGPRX4TP53PKMNFKB1
SCHEMBL6985928 0.78 KDM5B (0.49) KDM5BKDM4EKDM6BTET3KDM4A
SCHEMBL6993029 0.78 ALDH1A1 (0.48) SMN1; SMN2MRGPRX4TP53CYP2D6CYP3A4
SCHEMBL6989792 0.77 MEN1 (0.45) TP53USP2LPAR1KDM5BKDM4E
SCHEMBL3854386 0.77 KDM5B (0.57) TP53KDM5BKDM4EKDM6BTET3
SCHEMBL6985000 0.77 KDM4C (0.50) LPAR1KDM5BKDM4EKDM6BTET3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362033-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
WO-2002064568-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed