SCHEMBL13809658

SCHEMBL13809658

COc1cc(OC)c(C(=O)OCC(COC(=O)c2c(OC)cc(OC)cc2OC)OC(=O)c2c(OC)cc(OC)cc2OC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.51
CYP3A4 P08684 3/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SERPINE1 P05121 1/20 0.45
KMT2A Q03164 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
HPGD P15428 1/20 0.42
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN11 Q06124 1/20 0.40

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
SCHEMBL13809672 0.89 PTPN1 (0.49) PTPN1CYP3A4SERPINE1KMT2A
SCHEMBL13809661 0.87 PTPN1 (0.50) PTPN1CYP3A4SMN1; SMN2SERPINE1KMT2A
SCHEMBL13809654 0.84 CA12 (0.49) PTPN1SMN1; SMN2SERPINE1KMT2A
SCHEMBL13554532 0.80 CYP3A4 (0.63) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL13809678 0.79 PTPN1 (0.47) PTPN1MAPK1SMN1; SMN2SERPINE1KMT2A
SCHEMBL13809649 0.79 KMT2A (0.59) PTPN1USP2SMN1; SMN2KMT2A
SCHEMBL13809653 0.77 ALDH1A1 (0.49) PTPN1SMN1; SMN2SERPINE1KMT2A
SCHEMBL2612548 0.77 SERPINE1 (0.65) PTPN1SMN1; SMN2SERPINE1KMT2APTPN2
SCHEMBL9699067 0.75 CYP3A4 (0.58) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
Methyl 2,4,6-Trimethoxybenzoate SCHEMBL2563067 0.75 CYP3A4 (0.58) CYP3A4USP2MAPK1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155495-A1 PROCESS FOR PRODUCING CELLULOSE ACYLATE FILM, CELLULOSE ACYLATE FILM, POLARIZER, AND LIQUID-CRYSTAL DISPLAY KONICA MINOLTA OPTO, INC. (JP) 2009-06-18 US disclosed
US-20090155495-A1 PROCESS FOR PRODUCING CELLULOSE ACYLATE FILM, CELLULOSE ACYLATE FILM, POLARIZER, AND LIQUID-CRYSTAL DISPLAY KONICA MINOLTA OPTO, INC. (JP) 2009-06-18 US disclosed