SCHEMBL6161256

SCHEMBL6161256

COc1cccc(CC(CC(=O)c2ccccc2)C(O)=S)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TAAR1 Q96RJ0 2/20 0.47
▸ MMP13 P45452 1/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.45
▸ GPR52 Q9Y2T5 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44

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
SCHEMBL11262596 0.82 TSHR (0.59) KMT2AMEN1NPC1TSHRCYP1A2
SCHEMBL11129057 0.82 TSHR (0.59) KMT2AMEN1NPC1TSHRCYP1A2
SCHEMBL11239071 0.82 TSHR (0.59) KMT2AMEN1NPC1TSHRCYP1A2
SCHEMBL904248 0.80 CTBP2 (0.60) KMT2AMEN1NPC1RAB9AMMP13
SCHEMBL30342076 0.80 CTBP2 (0.60) KMT2AMEN1NPC1RAB9AMMP13
SCHEMBL27628173 0.76 RAB9A (0.69) KMT2AMEN1NPC1RAB9ATAAR1
SCHEMBL3101828 0.75 NPC1 (0.60) KMT2AL3MBTL1NPC1RAB9ATSHR
SCHEMBL16284888 0.75 NPC1 (0.60) KMT2AL3MBTL1NPC1RAB9ATSHR
SCHEMBL16284887 0.75 NPC1 (0.60) KMT2AL3MBTL1NPC1RAB9ATSHR
SCHEMBL6672877 0.75 NPC1 (0.60) KMT2AL3MBTL1NPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877740-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-03-30 — — EP disclosed
US-5994539-A Mercapto acyl aminoacid derivatives endowed with dual ACE-NEP inhibitory activity, useful in the treatment of cardiovascular diseases ZAMBON GROUP S.P.A. (IT) 1999-11-30 — — US disclosed
US-5760241-A ANGIOTENSIN CONVERTING ENZYME AND ENKEPHALINASE INHIBITORS; CARDIOVASCULAR DISORDERS ZAMBON GROUP S.P.A. (IT) 1998-06-02 — — US disclosed
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