SCHEMBL4949003

SCHEMBL4949003

O=C(O)c1c(C(=O)O)c2cccc3c4cccc5cccc(c(c1C(=O)O)c23)c54

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
HSD17B10 Q99714 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 5/20 0.46
KDM4E B2RXH2 5/20 0.46
HPGD P15428 4/20 0.46
CYP1A2 P05177 3/20 0.46
GLA P06280 2/20 0.46
CYP2C19 P33261 1/20 0.46
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
CDC25B P30305 1/20 0.41
THRB P10828 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38

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
SCHEMBL4885354 0.89 HSD17B10 (0.48) KMT2AHSD17B10ALDH1A1MEN1KDM4E
SCHEMBL27880221 0.86 MEN1 (0.55) KMT2AHSD17B10ALDH1A1MEN1KDM4E
SCHEMBL26963211 0.84 HSD17B10 (0.42) KMT2AHSD17B10ALDH1A1MEN1KDM4E
SCHEMBL16868408 0.84 MEN1 (0.53) KMT2AHSD17B10ALDH1A1MEN1KDM4E
SCHEMBL31542978 0.83 HSD17B10 (0.47) KMT2AHSD17B10ALDH1A1MEN1KDM4E
SCHEMBL28062062 0.83 HSD17B10 (0.47) KMT2AHSD17B10ALDH1A1MEN1KDM4E
SCHEMBL186130 0.83 HSD17B10 (0.47) KMT2AHSD17B10ALDH1A1MEN1KDM4E
SCHEMBL29450079 0.83 HSD17B10 (0.47) KMT2AHSD17B10ALDH1A1MEN1KDM4E
SCHEMBL27504881 0.82 NR4A1 (0.45) KMT2AHSD17B10ALDH1A1MEN1KDM4E
SCHEMBL275486 0.82 KMT2A (0.53) KMT2AHSD17B10ALDH1A1MEN1KDM4E

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
WO-2008104999-A2 NOVEL ADDUCTS AS BRANCHING AGENTS FOR CONDENSATION POLYMER AND METHOD FOR PRODUCING THE SAME RELIANCE INDUSTRIES LIMITED (IN) 2008-09-04 WO claimed
WO-2008105000-A2 CONTROLLED BRANCHED POLYESTER AND PROCESS FOR MAKING THE SAME RELIANCE INDUSTRIES LIMITED (IN) 2008-09-04 WO disclosed
WO-2008104999-A2 NOVEL ADDUCTS AS BRANCHING AGENTS FOR CONDENSATION POLYMER AND METHOD FOR PRODUCING THE SAME RELIANCE INDUSTRIES LIMITED (IN) 2008-09-04 WO disclosed
US-5440927-A Fiber optic moisture sensor RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1995-08-15 US disclosed
US-5319975-A Fiber optic moisture sensor RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1994-06-14 US disclosed