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SCHEMBL15965507

SCHEMBL15965507

COCCOCCOCCOc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccc(-c9ccc(N(c%10ccc(-c%11ccc(N(c%12ccc(-c%13ccccc%13)cc%12)c%12ccc(OCCOCCOCCOC)c(C(=O)O)c%12)cc%11)cc%10)c%10ccc(OCCOCCOCCOC)c(C(=O)O)c%10)cc9)cc8)c8ccc(OCCOCCOCCOC)c(C(=O)O)c8)cc7)cc6)c6ccc(OCCOCCOCCOC)c(C(=O)O)c6)cc5)cc4)c4ccc(OCCOCCOCCOC)c(C(=O)O)c4)cc3)cc2)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ PTK2B Q14289 1/20 0.49
▸ PTPN11 Q06124 5/20 0.46
▸ PTPN1 P18031 1/20 0.42
▸ PTPN6 P29350 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MCHR1 Q99705 5/20 0.41
▸ RARA P10276 1/20 0.41
▸ RARB P10826 1/20 0.41
▸ SLC6A9 P48067 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 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
SCHEMBL15965464 0.90 ALDH1A1 (0.43) ALDH1A1KMT2APTK2BPTPN1SMN1; SMN2
SCHEMBL15965504 0.88 KMT2A (0.47) ALDH1A1KMT2APTK2BPTPN11SMN1; SMN2
SCHEMBL15965488 0.88 ALDH1A1 (0.40) ALDH1A1KMT2APTK2BSMN1; SMN2LMNA
SCHEMBL15965460 0.87 ALDH1A1 (0.46) ALDH1A1KMT2APTK2BPTPN11SMN1; SMN2
SCHEMBL15965502 0.86 PTPN11 (0.40) ALDH1A1KMT2APTK2BPTPN11PTPN1
SCHEMBL15965452 0.86 ALDH1A1 (0.46) ALDH1A1KMT2APTK2BPTPN1PTPN6
SCHEMBL15965494 0.84 ALDH1A1 (0.43) ALDH1A1KMT2APTK2BSMN1; SMN2LMNA
SCHEMBL15965506 0.82 PTPN11 (0.38) ALDH1A1KMT2APTK2BPTPN11PTPN1
SCHEMBL15965451 0.79 ALDH1A1 (0.41) ALDH1A1KMT2APTPN1SMN1; SMN2LMNA
SCHEMBL15965484 0.77 HTT (0.39) ALDH1A1KMT2ASMN1; SMN2LMNAKDM4E

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