SCHEMBL8035014

SCHEMBL8035014

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 2/20 0.42
LMNA P02545 2/20 0.42
MMP13 P45452 1/20 0.42
PDCD4 Q53EL6 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MAPT P10636 4/20 0.40
MAOB P27338 1/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSP90AA1 P07900 1/20 0.39
MEN1 O00255 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL8043911 0.89 TARBP2 (0.46) TARBP2LMNAMMP13PDCD4ALDH1A1
SCHEMBL3839635 0.88 FFAR1 (0.45) LMNAMMP13GAANPC1RAB9A
SCHEMBL8052162 0.82 LMNA (0.43) TARBP2LMNAMMP13PDCD4ALDH1A1
SCHEMBL3841049 0.75 FFAR1 (0.49) LMNAMMP13GAANPC1RAB9A
SCHEMBL31629479 0.72 DAO (0.44) TARBP2LMNAMMP13PDCD4ALDH1A1
SCHEMBL8435193 0.72 SMN1; SMN2 (0.42) TARBP2LMNAMMP13PDCD4ALDH1A1
SCHEMBL7883522 0.71 ALDH1A1 (0.44) LMNAALDH1A1GAAMAPTPOLB
SCHEMBL11876582 0.70 BRD4 (0.46) TARBP2LMNAPDCD4ALDH1A1MAPT
SCHEMBL18785380 0.70 LMNA (0.49) TARBP2LMNAMMP13PDCD4ALDH1A1
SCHEMBL18785383 0.69 GABRA2 (0.49) LMNAMMP13ALDH1A1GAANPC1

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