SCHEMBL8043911

SCHEMBL8043911

CCOC(=O)c1nc(CO)[nH]c1SCc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 2/20 0.46
LMNA P02545 2/20 0.46
MMP13 P45452 1/20 0.46
PDCD4 Q53EL6 1/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8035014 0.89 TARBP2 (0.42) TARBP2LMNAMMP13PDCD4NPC1
SCHEMBL3841049 0.85 FFAR1 (0.49) LMNAMMP13NPC1RAB9AMAPT
SCHEMBL8052162 0.85 LMNA (0.43) TARBP2LMNAMMP13PDCD4NPC1
SCHEMBL3839635 0.76 FFAR1 (0.45) LMNAMMP13NPC1RAB9AMAPT
SCHEMBL31629479 0.73 DAO (0.44) TARBP2LMNAMMP13PDCD4NPC1
SCHEMBL11876582 0.73 BRD4 (0.46) TARBP2LMNAPDCD4MAPTALDH1A1
SCHEMBL18785380 0.73 LMNA (0.49) TARBP2LMNAMMP13PDCD4NPC1
SCHEMBL8435193 0.73 SMN1; SMN2 (0.42) TARBP2LMNAMMP13PDCD4NPC1
SCHEMBL18785383 0.72 GABRA2 (0.49) LMNAMMP13NPC1RAB9AMAPT
SCHEMBL10595807 0.72 DAO (0.49) NPC1GAAPOLBALDH1A1RXFP1

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-6143774-A DRUGS AS HYPOTENSIVE AGENTS HOECHST MARION ROUSSEL (FR) 2000-11-07 US disclosed