SCHEMBL11827638

SCHEMBL11827638

CCNC(=O)SC(CCc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.51
▸ ACE P12821 5/20 0.46
▸ ACE2 Q9BYF1 5/20 0.46
▸ CPA1 P15085 4/20 0.46
▸ MMP12 P39900 6/20 0.46
▸ MMP2 P08253 4/20 0.46
▸ MMP9 P14780 3/20 0.46
▸ MMP13 P45452 3/20 0.46
▸ MMP14 P50281 1/20 0.46
▸ FFAR1 O14842 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MMP3 P08254 1/20 0.40

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
SCHEMBL11827741 0.87 HCAR2 (0.43) MME
SCHEMBL11828127 0.82 MMP12 (0.51) MMEACEACE2CPA1MMP12
SCHEMBL11830248 0.80 MMP12 (0.49) MMEACEACE2CPA1MMP12
Ethane SCHEMBL11827654 0.80 MMP12 (0.49) MMEACEACE2CPA1MMP12
SCHEMBL11832469 0.79 MMP12 (0.51) MMEACEACE2CPA1MMP12
SCHEMBL11829687 0.79 MMP12 (0.51) MMEACEACE2CPA1MMP12
SCHEMBL11827868 0.79 MMP12 (0.46) MMEACEACE2CPA1MMP12
SCHEMBL11830083 0.79 MMP12 (0.54) MMEACEACE2CPA1MMP12
SCHEMBL11827382 0.78 MMP12 (0.50) MMEACEACE2CPA1MMP12
SCHEMBL11830295 0.77 MMP12 (0.49) MMEACEACE2CPA1MMP12

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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