SCHEMBL6264815

SCHEMBL6264815

CCCCCCCC(=O)Oc1cc2ccc(=O)oc2cc1OC(=O)CCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 10/20 0.59
▸ CA12 O43570 7/20 0.59
▸ CA1 P00915 5/20 0.50
▸ CA7 P43166 4/20 0.50
▸ MCL1 Q07820 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA3 P07451 2/20 0.50
▸ CA4 P22748 2/20 0.50
▸ CA6 P23280 2/20 0.50
▸ CA14 Q9ULX7 2/20 0.50
▸ CA5B Q9Y2D0 2/20 0.50
▸ ALOX15 P16050 1/20 0.49
▸ NDUFS8 O00217 2/20 0.48
▸ COXFA4 O00483 2/20 0.48
▸ NDUFAB1 O14561 2/20 0.48
▸ NDUFA1 O15239 2/20 0.48
▸ NDUFS4 O43181 2/20 0.48
▸ NDUFB5 O43674 2/20 0.48
▸ NDUFB3 O43676 2/20 0.48
▸ NDUFC1 O43677 2/20 0.48

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
SCHEMBL6262163 1.00 CA9 (0.59) CA9CA12CA1CA7MCL1
SCHEMBL6268109 1.00 CA9 (0.59) CA9CA12CA1CA7MCL1
SCHEMBL6268111 1.00 CA9 (0.59) CA9CA12CA1CA7MCL1
SCHEMBL6267768 0.91 NDUFS8 (0.55) CA9CA12ALOX15NDUFS8COXFA4
SCHEMBL8526039 0.90 KDM4E (0.53) CA9CA12CA1CA7CA2
SCHEMBL1095981 0.86 CA12 (0.63) CA9CA12CA1CA7CA2
SCHEMBL4293165 0.86 CA12 (0.63) CA9CA12CA1CA7CA2
SCHEMBL19831442 0.86 CA12 (0.63) CA9CA12CA1CA7CA2
SCHEMBL21043916 0.84 CA12 (0.64) CA9CA12CA1CA7CA2
SCHEMBL6018753 0.83 CA12 (0.68) CA9CA12CA1CA7CA2

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 5 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
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