SCHEMBL9505451

SCHEMBL9505451

c1ccc(-c2cccc(-c3ccccc3OCC3CO3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
GLA P06280 1/20 0.55
TDP1 Q9NUW8 1/20 0.51
TP53 P04637 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
PTPN1 P18031 1/20 0.46
PTGER1 P34995 4/20 0.42
PTGER4 P35408 4/20 0.42
PTGER3 P43115 4/20 0.42
PTGER2 P43116 4/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
MGLL Q99685 2/20 0.40
ADRB2 P07550 1/20 0.39
FFAR4 Q5NUL3 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
SCHEMBL30525942 0.95 ALDH1A1 (0.60) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL17422018 0.89 ALDH1A1 (0.60) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL623648 0.89 ALDH1A1 (0.64) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL8993129 0.89 ALDH1A1 (0.64) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL29422796 0.89 ALDH1A1 (0.64) ALDH1A1GLATDP1TP53CYP3A4
Water SCHEMBL22325690 0.87 ALDH1A1 (0.62) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL28261888 0.85 ALDH1A1 (0.60) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL27849730 0.85 TDP1 (0.51) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL30525943 0.84 ALDH1A1 (0.66) ALDH1A1GLATDP1TP53CYP3A4
SCHEMBL17667197 0.84 ALDH1A1 (0.48) ALDH1A1GLATDP1TP53CYP3A4

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
EP-0295126-B1 ARYLAMINE-CONTAINING POLYHYDROXY ETHER RESINS XEROX CORPORATION (US) 1993-08-04 EP disclosed
US-4818650-A Arylamine containing polyhydroxy ether resins and system utilizing arylamine containing polyhydroxyl ether resins XEROX CORPORATION (US) 1989-04-04 US disclosed