SCHEMBL5268802

SCHEMBL5268802

COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1oc2ccc(-c3ccc(Cl)cc3)cc2c1C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 5/20 0.54
CDK2 P24941 3/20 0.49
PPARG P37231 1/20 0.49
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
CAPN1 P07384 1/20 0.45
PTPN1 P18031 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
ERAP2 Q6P179 1/20 0.45
LNPEP Q9UIQ6 1/20 0.45
NPC1 O15118 1/20 0.45
SLC26A4 O43511 1/20 0.44
KMT2A Q03164 1/20 0.44
YAP1 P46937 2/20 0.44
ADAMTS4 O75173 1/20 0.44
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44

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
SCHEMBL3498698 0.94 GPR34 (0.54) GPR34CDK2PPARGRAB9AGAA
SCHEMBL3499082 0.94 GPR34 (0.54) GPR34CDK2PPARGRAB9AGAA
SCHEMBL3499160 0.94 GPR34 (0.63) GPR34PPARGPTPN1KMT2AADAMTS4
SCHEMBL3499163 0.94 GPR34 (0.63) GPR34PPARGPTPN1KMT2AADAMTS4
SCHEMBL3498316 0.90 CDK2 (0.46) GPR34CDK2PPARGSLC26A4KMT2A
SCHEMBL3498317 0.90 CDK2 (0.46) GPR34CDK2PPARGSLC26A4KMT2A
SCHEMBL3498196 0.87 GPR34 (0.63) GPR34PPARGPTPN1KMT2AADAMTS4
SCHEMBL3499991 0.87 GPR34 (0.63) GPR34PPARGPTPN1KMT2AADAMTS4
SCHEMBL13344477 0.87 GPR34 (0.63) GPR34PPARGPTPN1KMT2AADAMTS4
SCHEMBL3500625 0.86 GPR34 (0.49) GPR34CDK2PPARGRAB9AGAA

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
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP disclosed