Sugi Predict

Sugi Predict / Compounds / SCHEMBL24689639

SCHEMBL24689639

SCHEMBL24689639

CCCCCCCCCCCCCc1c2nc(c(-c3cccc(O)c3)c3ccc([nH]3)c(CCCCCCCCCCCCC)c3nc(c(-c4cccc(O)c4)c4ccc1[nH]4)C(O)C3O)C=C2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 3/20 0.43
▸ TERT O14746 4/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ MGAM O43451 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SI P14410 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL17688991 1.00 GCGR (0.43) GCGRTERTESR1ESR2MGAM
SCHEMBL20843346 1.00 GCGR (0.43) GCGRTERTESR1ESR2MGAM
SCHEMBL17688990 1.00 GCGR (0.43) GCGRTERTESR1ESR2MGAM
SCHEMBL24689580 1.00 GCGR (0.43) GCGRTERTESR1ESR2MGAM
SCHEMBL17688992 0.97 GCGR (0.45) GCGRESR1ESR2MGAMGAA
SCHEMBL24689725 0.97 GCGR (0.45) GCGRESR1ESR2MGAMGAA
SCHEMBL24689353 0.96 GCGR (0.46) GCGRTERTESR1ESR2MGAM
SCHEMBL17688988 0.96 GCGR (0.46) GCGRTERTESR1ESR2MGAM
SCHEMBL24689581 0.94 GCGR (0.41) GCGRTERTESR1ESR2MGAM
SCHEMBL24689724 0.92 GCGR (0.43) GCGRESR1ESR2MGAMGAA

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-3459955-B1 NOVEL METHOD AND APPLICATION OF UNSYMMETRICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT BIOLITEC UNTERNEHMENSBERATUNGS II AG (AT) 2022-11-02 — — EP disclosed
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