Catechol

Catechol

SCHEMBL18074826

O=C(N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21.Oc1ccccc1O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.53
▸ MDM4 O15151 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ SLC17A5 Q9NRA2 1/20 0.48
▸ MDM2 Q00987 4/20 0.47
▸ CASP3 P42574 2/20 0.47
▸ EPHX2 P34913 1/20 0.47

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
SCHEMBL29843110 0.99 PTPN1 (0.54) PTPN1MDM4TP53SLC17A5MDM2
SCHEMBL29500417 0.99 PTPN1 (0.54) PTPN1MDM4TP53SLC17A5MDM2
SCHEMBL9732381 0.99 PTPN1 (0.54) PTPN1MDM4TP53SLC17A5MDM2
SCHEMBL24495215 0.90 PTPN1 (0.52) PTPN1MDM4TP53SLC17A5MDM2
SCHEMBL15083325 0.90 MDM2 (0.52) PTPN1MDM4TP53SLC17A5MDM2
SCHEMBL14584328 0.90 FOLH1 (0.51) PTPN1MDM4TP53SLC17A5MDM2
SCHEMBL24489613 0.90 FOLH1 (0.51) PTPN1MDM4TP53SLC17A5MDM2
SCHEMBL2578833 0.90 CA2 (0.51) PTPN1MDM4TP53SLC17A5MDM2
SCHEMBL21192400 0.90 PTPN1 (0.52) PTPN1MDM4TP53SLC17A5MDM2
SCHEMBL2030857 0.90 FOLH1 (0.51) PTPN1MDM4TP53SLC17A5MDM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3270949-A2 INSULIN ANALOGUES CONTAINING A GLUCOSE-REGULATED CONFORMATIONAL SWITCH Case Western Reserve University (US) 2018-01-24 — — EP disclosed
WO-2016149222-A2 INSULIN ANALOGUES CONTAINING A GLUCOSE-REGULATED CONFORMATIONAL SWITCH CASE WESTERN RESERVE UNIVERSITY (US) 2016-09-22 — — WO disclosed
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