SCHEMBL8954607

SCHEMBL8954607

N#Cc1cccc(C[C@](N)(C(=O)N2CC3CCCCC3CC2C(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 2/20 0.36
▸ AKR1C3 P42330 4/20 0.36
▸ F10 P00742 2/20 0.36
▸ KAT6A Q92794 1/20 0.35
▸ ADAM17 P78536 2/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ FAP Q12884 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ ACE P12821 1/20 0.35
▸ CAPN1 P07384 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ PIN1 Q13526 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ EPHX1 P07099 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
SCHEMBL8954772 0.91 F10 (0.40) CASRF10KAT6AADAM17MMP1
SCHEMBL8954993 0.88 CASR (0.41) CASRF10KAT6AADAM17DPP4
SCHEMBL8954767 0.86 F10 (0.50) F10
Hydrochloric Acid SCHEMBL8954995 0.86 F10 (0.49) F10
SCHEMBL9665265 0.86 CASR (0.40) CASRF10KAT6AADAM17DPP4
SCHEMBL8954756 0.85 F10 (0.38) AKR1C3F10AKR1C1ACECAPN1
SCHEMBL8954843 0.82 MMP8 (0.38) CASRF10KAT6AACEPIN1
SCHEMBL8954682 0.82 ALOX5AP (0.38) CASRAKR1C3F10KAT6AADAM17
SCHEMBL9664400 0.79 ALDH1A1 (0.47) CASRF10KAT6ADPP7
SCHEMBL9665755 0.79 CASR (0.38) CASRF10KAT6AADAM17DPP4

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
Send feedback