SCHEMBL13749032

SCHEMBL13749032

BCc1ccc(C(=O)O)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.47
CXCL12 P48061 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
WDR5 P61964 1/20 0.44
KDM4E B2RXH2 3/20 0.43
CYP2C9 P11712 2/20 0.43
LDHA P00338 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
ATIC P31939 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HIF1A Q16665 1/20 0.43
CDC25B P30305 1/20 0.39
THRB P10828 1/20 0.39
FOLH1 Q04609 1/20 0.39

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
SCHEMBL2649233 0.84 NR4A1 (0.50) HMGB1CXCL12NR4A1NR4A2NR4A3
SCHEMBL6323290 0.82 CNR2 (0.50) HMGB1CXCL12NR4A1NR4A2NR4A3
SCHEMBL30838413 0.81 NR4A1 (0.65) HMGB1NR4A1NR4A2NR4A3WDR5
SCHEMBL30838412 0.81 NR4A1 (0.65) HMGB1NR4A1NR4A2NR4A3WDR5
SCHEMBL29406630 0.81 NR4A1 (0.65) HMGB1NR4A1NR4A2NR4A3WDR5
SCHEMBL28798 0.81 NR4A1 (0.65) HMGB1NR4A1NR4A2NR4A3WDR5
SCHEMBL17537563 0.81 TDP1 (0.56) HMGB1CXCL12NR4A1NR4A2NR4A3
SCHEMBL29624842 0.81 HMGB1 (0.47) HMGB1CXCL12NR4A1NR4A2NR4A3
SCHEMBL5500921 0.81 HMGB1 (0.47) HMGB1CXCL12NR4A1NR4A2NR4A3
SCHEMBL926511 0.81 HMGB1 (0.47) HMGB1CXCL12NR4A1NR4A2NR4A3

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-2009097992-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2009-08-13 WO disclosed