SCHEMBL8823362

SCHEMBL8823362

COc1ccc(CSC2(C(=O)O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.46
IDO1 P14902 2/20 0.45
EPHX1 P07099 1/20 0.45
FFAR1 O14842 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
CTBP2 P56545 1/20 0.42
F2RL1 P55085 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL7827231 0.94 LDHA (0.44) LDHAIDO1EPHX1FFAR1SMN1; SMN2
SCHEMBL812289 0.93 MAPT (0.45) LDHAIDO1EPHX1FFAR1SMN1; SMN2
SCHEMBL769100 0.88 SMN1; SMN2 (0.43) LDHAIDO1EPHX1FFAR1SMN1; SMN2
SCHEMBL7828984 0.84 EPHX1 (0.46) LDHAIDO1EPHX1SMN1; SMN2L3MBTL1
SCHEMBL8823363 0.82 KMT2A (0.49) IDO1L3MBTL1POLB
SCHEMBL7825227 0.82 LDHA (0.39) LDHAIDO1EPHX1FFAR1SMN1; SMN2
SCHEMBL7824133 0.82 LDHA (0.39) LDHAIDO1EPHX1FFAR1SMN1; SMN2
SCHEMBL7825219 0.82 FFAR1 (0.41) LDHAIDO1EPHX1FFAR1SMN1; SMN2
SCHEMBL7829414 0.82 KDM1A (0.48) SMN1; SMN2HTT
SCHEMBL7827049 0.81 MAPT (0.45) IDO1SMN1; SMN2HTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0534363-B1 Novel 2-substituted indane-2-mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMA INC (US) 1997-07-09 EP disclosed
US-5529996-A USEFUL FOR CONGESTIVE HEART FAILURE, DIURETIC EFFECT, IRRITABLE BOWL MOVEMENT, ENDORPHIN OR ENKEPHALIN MEDIATED ANALGESIC EFFECTS AND ALSO HYPOTENSIVE AGENT MERRELL DOW PHARMACEUTICALS INC. (US) 1996-06-25 US disclosed
US-5486513-A 2-substituted indane-2-mercaptoacetylamide derivatives useful as inhibitors or enkephalinase and ace MERRELL DOW PHARMACEUTICALS INC. (US) 1996-01-23 US disclosed
US-5428158-A 2-substituted indane-2-mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL DOW PHARMACEUTICALS INC. (US) 1995-06-27 US disclosed
EP-0534363-A2 Novel 2-substituted indane-2-mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMACEUTICALS INC. (US) 1993-03-31 EP disclosed