SCHEMBL8954682

SCHEMBL8954682

N#Cc1cccc(C[C@](N)(C(=O)N2CCC(C(=O)O)C3CCCCC32)S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.38
▸ CASR P41180 2/20 0.38
▸ F10 P00742 5/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ FAP Q12884 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ KAT6A Q92794 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ PIN1 Q13526 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ AKR1C3 P42330 2/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ MMP1 P03956 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ CAPN1 P07384 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8954708 0.91 CASR (0.39) CASRF10DPP4FAPDPP8
SCHEMBL8954816 0.90 F10 (0.39) F10AKR1C3F2CAPN1ALDH1A1
SCHEMBL9665755 0.89 CASR (0.38) ALOX5APCASRF10DPP4FAP
SCHEMBL8954880 0.86 F10 (0.52) F10F2
SCHEMBL8954993 0.86 CASR (0.41) CASRF10DPP4FAPDPP8
Iodide SCHEMBL8954868 0.86 F10 (0.51) F10F2
SCHEMBL9665029 0.86 CASR (0.41) CASRF10DPP4FAPDPP8
SCHEMBL8954584 0.85 F10 (0.39) F10AKR1C3F2PRSS1CAPN1
SCHEMBL8954679 0.84 F10 (0.43) F10F2PRSS1
SCHEMBL8954607 0.82 CASR (0.36) ALOX5APCASRF10DPP4FAP

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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