SCHEMBL8434937

SCHEMBL8434937

COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CCN(C(=O)OCc4ccc([N+](=O)[O-])cc4)CC3)N(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
GRIN2B Q13224 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL8438296 0.97 ALDH1A1 (0.44) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL9127639 0.90 KCNJ1 (0.41) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL8436746 0.89 GPR119 (0.41) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL8435824 0.87 KCNJ1 (0.44) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL8436501 0.87 GAA (0.42) ALDH1A1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL8536785 0.87 KCNJ1 (0.44) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL9126666 0.87 ALDH1A1 (0.39) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL8436267 0.87 ALDH1A1 (0.40) ALDH1A1MAPTLMNAGAAKMT2A
Hydrochloric Acid SCHEMBL8435888 0.87 ALDH1A1 (0.41) ALDH1A1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL9127478 0.86 KCNJ1 (0.40) ALDH1A1MAPTGAASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed