SCHEMBL8726245

SCHEMBL8726245

COC[C@H](NC(=O)c1ccc(Oc2ccc(N(CCCl)CCCl)c(C)c2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.40
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
UGCG Q16739 1/20 0.38
CTSK P43235 5/20 0.38
CTSS P25774 3/20 0.38
TACR1 P25103 3/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
UTS2R Q9UKP6 1/20 0.37
CTSL P07711 1/20 0.36
PTPN1 P18031 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
SCHEMBL8727972 0.90 ALDH1A1 (0.43) ACEGAARAB9AUGCGCTSK
SCHEMBL8728069 0.85 SMN1; SMN2 (0.38) ACECTSKTAS1R3TAS1R1UTS2R
SCHEMBL8722093 0.82 MAPT (0.47) GAARAB9A
SCHEMBL8726548 0.78 ALDH1A1 (0.43) RAB9ATAS1R3TAS1R1UTS2R
SCHEMBL7715738 0.78 CA1 (0.44) UTS2R
SCHEMBL8726249 0.76 LPAR1 (0.41) RAB9A
SCHEMBL8722150 0.76 CA2 (0.42) UTS2R
SCHEMBL8722082 0.75 CA1 (0.42) CTSKCTSSTAS1R3TAS1R1CTSL
SCHEMBL8722107 0.75 PYGL (0.36) UTS2R
SCHEMBL8812961 0.74 BCHE (0.40) TACR1

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
WO-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 WO disclosed