SCHEMBL7751730

SCHEMBL7751730

COc1ccc(C[C@H](NCl)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.67
FPR2 P25090 1/20 0.58
KMT2A Q03164 2/20 0.58
CA2 P00918 1/20 0.55
PPARG P37231 2/20 0.53
PPARA Q07869 1/20 0.53
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
PTGDR Q13258 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL7751726 1.00 LDHA (0.67) LDHAFPR2KMT2ACA2PPARG
SCHEMBL995624 0.87 LDHA (0.67) LDHAFPR2KMT2ACA2PPARG
SCHEMBL16063575 0.87 LDHA (0.67) LDHAFPR2KMT2ACA2PPARG
SCHEMBL2029603 0.87 LDHA (0.67) LDHAFPR2KMT2ACA2PPARG
SCHEMBL23797845 0.85 LDHA (0.65) LDHAFPR2KMT2ACA2PPARG
Hydrochloric Acid SCHEMBL7319633 0.85 LDHA (0.65) LDHAFPR2KMT2ACA2PPARG
Hydrochloric Acid SCHEMBL7319628 0.85 LDHA (0.65) LDHAFPR2KMT2ACA2PPARG
SCHEMBL12201015 0.85 LDHA (0.65) LDHAFPR2KMT2ACA2PPARG
SCHEMBL10663117 0.84 LDHA (0.63) LDHAFPR2KMT2ACA2PPARG
SCHEMBL1097490 0.84 LDHA (0.63) LDHAFPR2KMT2ACA2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830136-A4 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIV HAWAII (US) 2001-01-24 EP disclosed
EP-0830136-A1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIVERSITY OF HAWAII (US) 1998-03-25 EP disclosed
EP-0735819-A4 NEW CRYPTOPHYCINS UNIV HAWAII (US) 1997-03-19 EP disclosed
WO-1996040184-A1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIVERSITY OF HAWAII (US) 1996-12-19 WO disclosed
EP-0735819-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1996-10-09 EP disclosed
WO-1995017093-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1995-06-29 WO disclosed