SCHEMBL15965502

SCHEMBL15965502

COCCOCCOCCOc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(c5ccc(OCCOCCOCCOC)c(C(=O)O)c5)c5cc(-c7ccccc7)ccc5-6)cc4)c4ccc(OCCOCCOCCOC)c(C(=O)O)c4)cc3)cc2)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.40
RARG P13631 8/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
PTK2B Q14289 1/20 0.37
SLC6A9 P48067 3/20 0.36
HPSE Q9Y251 2/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL15965501 0.88 RARG (0.34) PTPN11RARGRARARARBKMT2A
SCHEMBL15965506 0.87 PTPN11 (0.38) PTPN11RARGRARARARBALDH1A1
SCHEMBL15965507 0.86 ALDH1A1 (0.49) PTPN11RARARARBALDH1A1KMT2A
SCHEMBL15965503 0.81 PDK2 (0.34) PTPN11RARGRARARARBALDH1A1
SCHEMBL14929447 0.80 ALDH1A1 (0.40) RARGRARARARBALDH1A1KMT2A
SCHEMBL15966201 0.78 PTPN11 (0.45) PTPN11RARGALDH1A1KMT2APTK2B
SCHEMBL15965464 0.78 ALDH1A1 (0.43) ALDH1A1KMT2APTK2BSLC6A9PTPN1
SCHEMBL15965505 0.77 PTPN11 (0.41) PTPN11RARGRARARARBALDH1A1
SCHEMBL20998171 0.77 KMT2A (0.36) PTPN11RARGRARARARBALDH1A1
SCHEMBL15965504 0.76 KMT2A (0.47) PTPN11ALDH1A1KMT2APTK2B

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-9520569-B2 Aryl compounds for application in a highly polar solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-13 US disclosed
US-20140231717-A1 COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-21 US disclosed