SCHEMBL6993029

SCHEMBL6993029

COc1ccc(CCN(CCc2ccc(OC)c(OC)c2)C(=O)c2cc(C(=O)O)ccn2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 2/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
TPMT P51580 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LMNA P02545 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HTT P42858 1/20 0.44
AOC3 Q16853 1/20 0.44

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
SCHEMBL6993032 0.93 KMT2A (0.49) ALDH1A1KMT2ACYP3A4MEN1CYP1A2
SCHEMBL6990109 0.86 LPAR1 (0.53) ALDH1A1KMT2ACYP3A4MEN1KDM4E
SCHEMBL6986947 0.83 LPAR1 (0.51) AOC3SMN1; SMN2KDM6BKDM5AKDM4D
SCHEMBL6985928 0.82 KDM5B (0.49) ALDH1A1L3MBTL1KDM4EMAPTKDM6B
SCHEMBL6239722 0.82 KDM5B (0.49) ALDH1A1L3MBTL1KDM4EMAPTKDM6B
SCHEMBL6235516 0.80 KDM4C (0.49) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL6990114 0.79 LPAR1 (0.49) ALDH1A1KMT2ACYP3A4MEN1CA12
SCHEMBL18864232 0.78 FTO (0.53) ALDH1A1L3MBTL1KDM4EMAPTKDM6B
SCHEMBL6989313 0.78 SMN1; SMN2 (0.47) ALDH1A1KMT2ACYP3A4CYP2D6LMNA
SCHEMBL6988711 0.77 CA12 (0.51) ALDH1A1CA12CA1CA2CA4

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