SCHEMBL10697512

SCHEMBL10697512

O=C(O)c1cccc(Cl)c1OOCCOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
PKM P14618 1/20 0.46
KCNA5 P22460 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 2/20 0.43
PPARG P37231 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
PTK2B Q14289 1/20 0.41

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
SCHEMBL9551795 0.78 ALDH1A1 (0.76) ALDH1A1NPC1RAB9APKMKMT2A
SCHEMBL10698355 0.77 ALDH1A1 (0.47) ALDH1A1NPC1RAB9APKMKMT2A
SCHEMBL11030449 0.76 RAB9A (0.51) ALDH1A1NPC1RAB9APKMKCNA5
SCHEMBL8406918 0.76 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL10698413 0.75 PTPN11 (0.47) ALDH1A1PPARGTP53TSHR
SCHEMBL931157 0.75 ALDH1A1 (0.54) ALDH1A1NPC1RAB9APKMKMT2A
SCHEMBL13951530 0.73 KMT2A (0.50) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL28160277 0.72 TSHR (0.53) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL694862 0.72 PKM (0.67) ALDH1A1PKMKMT2APPARGHSD17B10
SCHEMBL28329497 0.72 KMT2A (0.49) ALDH1A1NPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0275203-A2 Heat-sensitive recording material containing color forming components FUJI PHOTO FILM CO., LTD. (JP) 1988-07-20 EP disclosed