SCHEMBL6262480

SCHEMBL6262480

O=C(Oc1cc2ccc(=O)oc2cc1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 1.00
▸ CA9 Q16790 5/20 1.00
▸ KMT2A Q03164 7/20 0.72
▸ POLB P06746 1/20 0.72
▸ GBA1 P04062 2/20 0.53
▸ SRD5A1 P18405 1/20 0.53
▸ MCL1 Q07820 2/20 0.53
▸ KDM4E B2RXH2 3/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ PGR P06401 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ AMY1A P0DUB6 1/20 0.50
▸ GAA P10253 1/20 0.50

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
SCHEMBL15335372 0.84 KMT2A (1.00) CA12CA9KMT2APOLBGBA1
SCHEMBL27696165 0.79 CA12 (0.65) CA12CA9KMT2APOLBKDM4E
SCHEMBL10036520 0.78 KMT2A (0.67) CA12CA9KMT2APOLBMEN1
SCHEMBL15843191 0.78 KMT2A (0.74) CA12CA9KMT2APOLBGBA1
SCHEMBL6264767 0.78 CA9 (1.00) CA12CA9KMT2APOLBSRD5A1
SCHEMBL6265592 0.77 KDM4E (0.70) CA12CA9KMT2APOLBMCL1
SCHEMBL15842550 0.77 CA9 (0.75) CA12CA9KMT2APOLBGBA1
SCHEMBL29468148 0.76 KMT2A (0.68) CA12CA9KMT2APOLBKDM4E
SCHEMBL6268207 0.74 CA9 (0.69) CA12CA9KMT2APOLBMCL1
SCHEMBL7765549 0.74 CA9 (0.69) CA12CA9KMT2APOLBMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5455268-A Treating arthropathy KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-10-03 — — US claimed
WO-2005091960-A2 METHOD FOR INHIBITING FIBROCARTILAGE DEGRADATION RUSH UNIVERSITY MEDICAL CENTER (US) 2005-10-06 — — WO disclosed
US-6750249-B1 GRADUALLY RELEASE ESCULETIN OR ITS DERIVATIVE IN A CONTROLLED MANNER OVER A LONG PERIOD OF TIME KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-06-15 — — US disclosed
EP-1121931-A1 CONTROLLED RELEASE ORAL PREPARATIONS OF ESCULETIN AND ITS DERIVATIVES Kureha Chemical Industry Co., Ltd. (JP) 2001-08-08 — — EP disclosed
EP-0614896-B1 Esculetin derivatives and pharmaceutical composition KUREHA CHEMICAL IND CO LTD (JP) 1998-12-30 — — EP disclosed
US-5455268-A Treating arthropathy KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-10-03 — — US disclosed
EP-0614896-A1 Esculetin derivatives and pharmaceutical composition KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1994-09-14 — — EP disclosed
Send feedback