SCHEMBL14557909

SCHEMBL14557909

CCC(C)(C)Oc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(-c5ccc(Oc6ccc(S(=O)(=O)c7ccc(C(C)(C)C)cc7)cc6)c(S(=O)(=O)O)c5)cc4S(=O)(=O)O)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ NR1I2 O75469 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ MCL1 Q07820 2/20 0.33
▸ XDH P47989 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL13181483 0.87 POLB (0.41) FGFR2ALDH1A1HPGDNPSR1POLB
SCHEMBL12807618 0.84 NPC1 (0.41) FGFR2ALDH1A1POLBMMP9MMP13
SCHEMBL14730305 0.82 SIRT1 (0.40) FGFR2ALDH1A1HPGDNPSR1APEX1
SCHEMBL13181466 0.81 ELANE (0.37) FGFR2ALDH1A1HPGDNPSR1POLB
SCHEMBL24977923 0.81 PTPN1 (0.38) ALDH1A1HPGDNPSR1NR1I2POLB
SCHEMBL14557893 0.80 ELANE (0.36) FGFR2ALDH1A1HPGDNPSR1POLB
SCHEMBL14364546 0.80 POLB (0.47) ALDH1A1NPSR1POLBAPEX1CTDSP1
SCHEMBL14364636 0.80 ALDH1A1 (0.33) FGFR2ALDH1A1POLBAPEX1CTDSP1
SCHEMBL13353930 0.79 ALDH1A1 (0.38) ALDH1A1HPGDNPSR1NR1I2POLB
SCHEMBL10066823 0.77 CASP1 (0.35) ALDH1A1NPSR1POLBAPEX1CTDSP1

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-20070066759-A1 Block copolymers and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-22 — — US disclosed
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