SCHEMBL12374853

SCHEMBL12374853

COC(=O)COc1cncc(/C=C/C(=O)c2c(O)c3ccccc3n(C)c2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 5/20 0.49
ALDH1A1 P00352 6/20 0.45
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 6/20 0.43
KDM4E B2RXH2 6/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NLRP3 Q96P20 1/20 0.43
TSHR P16473 2/20 0.42
MAPT P10636 6/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
XBP1 P17861 1/20 0.41
PGR P06401 1/20 0.40

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
SCHEMBL2280088 0.88 PADI4 (0.48) PADI4ALDH1A1RAB9ANPC1KDM4E
SCHEMBL2280086 0.88 PADI4 (0.48) PADI4ALDH1A1RAB9ANPC1KDM4E
SCHEMBL13818099 0.88 PADI4 (0.38) PADI4ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL13403311 0.81 KDM4E (0.59) ALDH1A1RAB9AKDM4ELMNAMAPT
SCHEMBL12374830 0.81 ABCG2 (0.36) PADI4RAB9ANPC1KDM4EMAPT
SCHEMBL2278736 0.79 PADI4 (0.50) PADI4ALDH1A1RAB9ANPC1KDM4E
SCHEMBL2278731 0.79 PADI4 (0.50) PADI4ALDH1A1RAB9ANPC1KDM4E
SCHEMBL2283097 0.79 PADI4 (0.50) PADI4RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL2283091 0.79 PADI4 (0.50) PADI4RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL4510109 0.77 CYSLTR2 (0.44) ALDH1A1SMN1; SMN2LMNAL3MBTL1

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-7989478-B2 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-02 US disclosed
US-7989478-B2 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-02 US disclosed