SCHEMBL8954993

SCHEMBL8954993

N#Cc1cccc(C[C@](N)(C(=O)N2CCCCC2C(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 2/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ FAP Q12884 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ TACR1 P25103 2/20 0.40
▸ F10 P00742 2/20 0.38
▸ F2 P00734 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ ADAM17 P78536 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ CPT2 P23786 3/20 0.38
▸ CPT1A P50416 3/20 0.38
▸ CPT1B Q92523 1/20 0.38
▸ CCR4 P51679 3/20 0.37
▸ KAT6A Q92794 1/20 0.37
▸ CAPN1 P07384 1/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8954607 0.88 CASR (0.36) CASRDPP4FAPDPP8DPP9
SCHEMBL8954682 0.86 ALOX5AP (0.38) CASRDPP4FAPDPP8DPP9
Hydrochloric Acid SCHEMBL8954922 0.85 F10 (0.51) F10F2PRSS1
SCHEMBL8954843 0.85 MMP8 (0.38) CASRF10KAT6APIN1ALDH1A1
SCHEMBL9664400 0.85 ALDH1A1 (0.47) CASRDPP7F10F2PRSS1
SCHEMBL8954875 0.83 F10 (0.44) F10F2PRSS1CAPN1
SCHEMBL8954706 0.83 F10 (0.52) F10F2
SCHEMBL8956282 0.83 MAPK1 (0.40) DPP4FAPDPP8DPP9DPP7
SCHEMBL9665755 0.83 CASR (0.38) CASRDPP4FAPDPP8DPP9
Iodide SCHEMBL9710508 0.81 F10 (0.51) F10F2PRSS1

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-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
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