SCHEMBL7643169

SCHEMBL7643169

CC(C)(COC(=O)CC(C(=O)OCC(C)(C)Cc1ccccc1)S(=O)(=O)O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PTPRB P23467 2/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPRA P18433 1/20 0.37
MMP8 P22894 1/20 0.36
RECQL P46063 2/20 0.36
MMP1 P03956 2/20 0.34
MMP13 P45452 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP9 P14780 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL8416029 0.99 CTSL (0.39) CTSLCTSSCTSKPTPRBPTPN2
SCHEMBL8416032 0.89 CTSL (0.37) CTSLCTSSCTSKPTPRBPTPN2
SCHEMBL28838240 0.77 CTSL (0.47) CTSLCTSSCTSKMMP8RECQL
SCHEMBL6128323 0.76 ALDH1A1 (0.54) KMT2AMMP9ALDH1A1ABCB1SMN1; SMN2
SCHEMBL6674072 0.75 ALDH1A1 (0.53) KMT2AMMP9ALDH1A1ABCB1SMN1; SMN2
SCHEMBL17599139 0.74 ALDH1A1 (0.56) CTSLCTSSCTSKMMP8RECQL
SCHEMBL28451682 0.74 RECQL (0.44) RECQL
Potassium SCHEMBL31400303 0.74 RECQL (0.44) RECQL
Ammonia Solution, Strong SCHEMBL28445378 0.74 RECQL (0.44) RECQL
SCHEMBL28348771 0.74 RECQL (0.44) RECQL

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-6468727-B2 PHOTOGRAPHIC MATERIAL EASTMAN KODAK COMPANY 2002-10-22 US disclosed
EP-1122279-A2 Nonionic oligomeric surfactants and their use as dispersants and stabilisers EASTMAN KODAK COMPANY (US) 2001-08-08 EP disclosed