SCHEMBL16116802

SCHEMBL16116802

CCN[C@H](Cc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.63
FPR2 P25090 1/20 0.59
KMT2A Q03164 1/20 0.59
CA2 P00918 1/20 0.53
PPARG P37231 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
PPARA Q07869 1/20 0.50
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
PTGDR Q13258 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
SCHEMBL839542 1.00 LDHA (0.63) LDHAFPR2KMT2ACA2PPARG
SCHEMBL30062882 0.88 LDHA (0.59) LDHAFPR2KMT2ACA2PPARG
SCHEMBL1097490 0.88 LDHA (0.63) LDHAFPR2KMT2ACA2PPARG
SCHEMBL28382375 0.86 LDHA (0.61) LDHAFPR2KMT2ACA2PPARG
SCHEMBL12302732 0.86 LDHA (0.53) LDHAFPR2KMT2A
SCHEMBL6307236 0.84 LDHA (0.55) LDHAFPR2KMT2ACA2MMP2
SCHEMBL995624 0.84 LDHA (0.67) LDHAFPR2KMT2ACA2PPARG
SCHEMBL2029603 0.84 LDHA (0.67) LDHAFPR2KMT2ACA2PPARG
SCHEMBL7751730 0.84 LDHA (0.67) LDHAFPR2KMT2ACA2PPARG
SCHEMBL16063575 0.84 LDHA (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014149073-A1 METHODS OF MANUFACTURE AND SYNTHESIS OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR TARGETED IMAGING OF TUMORS ON TARGET LABORATORIES LLC (US) 2014-09-25 WO disclosed