SCHEMBL11558918

SCHEMBL11558918

CN1Cc2ccsc2CC1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.57
▸ MMP9 P14780 2/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ ADAM9 Q13443 1/20 0.40
▸ KMT2A Q03164 1/20 0.36
▸ DRD2 P14416 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ DRD5 P21918 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ SLC6A1 P30531 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ JAK2 O60674 1/20 0.32

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
SCHEMBL11558987 0.80 MMP9 (0.45) ACEMMP9MMP1MMP3ADAM17
SCHEMBL32676972 0.75 ACE (0.54) ACELMNACHEK1JAK2
SCHEMBL2092090 0.75 ACE (0.54) ACELMNACHEK1JAK2
SCHEMBL3154327 0.75 ACE (0.54) ACELMNACHEK1JAK2
SCHEMBL13971489 0.75 ACE (0.54) ACELMNACHEK1JAK2
SCHEMBL8028671 0.74 ACE (0.36) ACEMMP9MMP1MMP3ADAM17
SCHEMBL8383954 0.70 MMP8 (0.57) MMP9MMP1MMP3SMN1; SMN2
SCHEMBL2150487 0.70 OPRM1 (0.51) MMP3CHEK1JAK2
SCHEMBL12652993 0.70 OPRM1 (0.51) MMP3CHEK1JAK2
SCHEMBL11558268 0.70 ACE (0.46) ACEKMT2ADRD2DRD1

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-4147787-A ANTICOAGULANTS PARCOR (FR) 1979-04-03 — — US disclosed
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