SCHEMBL8066720

SCHEMBL8066720

COc1cccc(OC)c1C(=O)[C@](O)(C(=O)O)[C@H](O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PPARA Q07869 1/20 0.37
LMNA P02545 1/20 0.36
FABP4 P15090 1/20 0.36
LDHA P00338 1/20 0.36

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
SCHEMBL8065796 1.00 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL8065805 1.00 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL28233075 0.85 IRAK4 (0.39) CA12CA1CA2CA7CA9
SCHEMBL7181728 0.84 HPGD (0.43) CA12CA1CA2CA9KMT2A
SCHEMBL2722029 0.84 HPGD (0.43) CA12CA1CA2CA9KMT2A
SCHEMBL4955700 0.83 USP2 (0.43) KMT2APOLBSMN1; SMN2LMNA
SCHEMBL16321528 0.74 CA1 (0.49) CA1CA2KMT2ALMNALDHA
SCHEMBL29733566 0.74 CA1 (0.49) CA1CA2KMT2ALMNALDHA
SCHEMBL29733569 0.74 CA1 (0.49) CA1CA2KMT2ALMNALDHA
SCHEMBL6813900 0.72 CES1 (0.45) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736018-B1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2000-07-05 EP disclosed
US-6025375-A INHIBITORY ACTIVITY ON PLATELET AGGREGATION, VASODILATING ACTIVITY, ANTIHYPERTENSIVE ACTIVITY OR THE LIKE AND ARE PROSTAGLANDIN I.SUB.2 AGONISTS, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-15 US disclosed
WO-1995017393-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-06-29 WO disclosed