SCHEMBL9346609

SCHEMBL9346609

COC(=O)c1ccc(C(=O)OCc2ccccc2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.67
MAPK1 P28482 3/20 0.65
KDM4E B2RXH2 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HPGD P15428 3/20 0.51
POLB P06746 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 1/20 0.48
GAA P10253 2/20 0.48
RAB9A P51151 1/20 0.48
NPC1 O15118 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL4984363 0.91 KMT2A (0.62) PKMMAPK1KDM4EL3MBTL1LMNA
SCHEMBL4984380 0.87 KMT2A (0.56) PKMMAPK1KDM4EL3MBTL1LMNA
Hydrochloric Acid SCHEMBL29852570 0.86 KMT2A (0.54) PKMMAPK1KDM4EL3MBTL1LMNA
SCHEMBL1584846 0.85 PKM (0.52) PKMMAPK1L3MBTL1LMNAKMT2A
SCHEMBL1741858 0.84 TDP1 (0.57) PKMMAPK1KDM4EL3MBTL1LMNA
SCHEMBL4989856 0.84 P4HTM (0.61) PKMMAPK1KDM4EL3MBTL1LMNA
SCHEMBL22388846 0.82 KMT2A (0.76) PKMMAPK1KDM4ELMNAKMT2A
SCHEMBL14186819 0.82 LMNA (0.51) PKMMAPK1KDM4EL3MBTL1LMNA
SCHEMBL12612944 0.81 POLB (0.57) PKML3MBTL1LMNAKMT2ATDP1
SCHEMBL23397122 0.81 LMNA (0.58) PKMMAPK1L3MBTL1LMNAKMT2A

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
US-5364873-A Influencing metabolism of collagen HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed
US-5238948-A Influence metabolism of collagen or biosynthesis of C1q HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-24 US disclosed