SCHEMBL9717029

SCHEMBL9717029

O=C([O-])c1cccc(Cc2ccccc2)c1O.O=C([O-])c1cccc(Cc2ccccc2)c1O.[Pb+2]

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.51
PTPN2 P17706 1/20 0.51
PTPN6 P29350 1/20 0.51
TSHR P16473 1/20 0.46
BCL2 P10415 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
BCL2L1 Q07817 1/20 0.43
HMGB1 P09429 1/20 0.42
ELANE P08246 2/20 0.42
CTSG P08311 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL11213067 0.97 PTPN1 (0.51) PTPN1PTPN2PTPN6TSHRBCL2
SCHEMBL11217534 0.97 PTPN1 (0.51) PTPN1PTPN2PTPN6TSHRBCL2
SCHEMBL30612910 0.84 PTPN1 (0.65) PTPN1PTPN2PTPN6TSHRKDM4E
SCHEMBL10536145 0.84 PTPN1 (0.56) PTPN1PTPN2PTPN6TSHRBCL2
SCHEMBL112902 0.84 PTPN1 (0.65) PTPN1PTPN2PTPN6TSHRKDM4E
Zinc Ion SCHEMBL10758632 0.84 ALDH1A1 (0.45) PTPN1PTPN2PTPN6KDM4EALDH1A1
SCHEMBL10976408 0.84 KDM4E (0.50) PTPN1PTPN2PTPN6KDM4EALDH1A1
Bicarbonate SCHEMBL21899873 0.83 PTPN1 (0.63) PTPN1PTPN2PTPN6TSHRKDM4E
Bicarbonate SCHEMBL236871 0.83 PTPN1 (0.63) PTPN1PTPN2PTPN6TSHRKDM4E
Zinc Ion SCHEMBL8428515 0.80 KDM4E (0.40) PTPN1PTPN2PTPN6TSHRKDM4E

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-0329460-B1 STABILISED MACROLIDE COMPOSITIONS AMERICAN CYANAMID COMPANY (US) 1992-05-20 EP claimed