SCHEMBL4544217

SCHEMBL4544217

C=CCc1cc(C)c(O)c(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.67
CXCL12 P48061 1/20 0.67
PTPN1 P18031 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
CTH P32929 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.38
TNKS O95271 2/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PTPN2 P17706 2/20 0.37
PTPN6 P29350 2/20 0.37
PARP1 P09874 1/20 0.37
XDH P47989 1/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL8816530 0.88 PTPN1 (0.47) HMGB1CXCL12PTPN1KDM4EHSD17B10
SCHEMBL719239 0.82 XDH (0.47) HMGB1CXCL12KDM4EALDH1A1HPGD
SCHEMBL3364581 0.81 PTPN1 (0.49) HMGB1CXCL12PTPN1KDM4EHSD17B10
SCHEMBL9755153 0.80 HMGB1 (1.00) HMGB1CXCL12PTPN1KDM4EHSD17B10
SCHEMBL10627084 0.80 TNKS (0.58) ALDH1A1TNKSTNKS2SMN1; SMN2KMT2A
SCHEMBL30374450 0.80 TNKS (0.58) ALDH1A1TNKSTNKS2SMN1; SMN2KMT2A
SCHEMBL8887168 0.79 HMGB1 (0.76) HMGB1CXCL12PTPN1KDM4EHSD17B10
SCHEMBL17936611 0.79 PTPN1 (0.46) HMGB1CXCL12PTPN1KDM4EHSD17B10
SCHEMBL29989811 0.78 TNKS (0.57) ALDH1A1TNKSTNKS2SMN1; SMN2KMT2A
SCHEMBL28739921 0.78 NR1H4 (0.47) HMGB1CXCL12KDM4EHSD17B10ALDH1A1

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
US-7629302-B2 Lubricating oil additive and lubricating oil composition NIPPON OIL CORPORATION (JP) 2009-12-08 US disclosed
US-20060063686-A1 Lubricating oil additive and lubricating oil composition NIPPON OIL CORPORATION (JP) 2006-03-23 US disclosed
EP-1580257-A1 LUBRICATING OIL ADDITIVE AND LUBRICATING OIL COMPOSITION Nippon Oil Corporation (JP) 2005-09-28 EP disclosed