SCHEMBL23705278

SCHEMBL23705278

O=C(O)Nc1ccc(O)c(CO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.54
SLC22A12 Q96S37 1/20 0.54
PKM P14618 1/20 0.53
EGFR P00533 2/20 0.43
KLF10 Q13118 1/20 0.42
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
ADRB2 P07550 2/20 0.40
NOX4 Q9NPH5 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
NFKB1 P19838 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
HIF1A Q16665 2/20 0.40
TSHR P16473 1/20 0.40
ADRB1 P08588 1/20 0.40
RGS12 O14924 1/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL30097168 1.00 XDH (0.54) XDHSLC22A12PKMEGFRKLF10
SCHEMBL4689214 0.87 ALDH1A1 (0.47) PKMEGFRERCC1ERCC4ALDH1A1
SCHEMBL28199373 0.80 RAB9A (0.44) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL15390102 0.80 EPHX1 (0.47) PKMMAPTMEN1CYP3A4GAA
SCHEMBL18491754 0.80 KMT2A (0.44) PKMALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL10996089 0.80 MEN1 (0.54) EGFRERCC1ERCC4NOX4HIF1A
SCHEMBL4689124 0.80 KDM4C (0.49) EGFRNOX4ALDH1A1KDM4CCYP1A2
SCHEMBL10562513 0.80 XDH (0.49) XDHSLC22A12PKMKLF10CYP1A2
SCHEMBL5114720 0.78 POLB (0.59) ALDH1A1TDP1CYP1A2CYP2D6HIF1A
SCHEMBL27889259 0.78 POLB (0.50) ALDH1A1CYP1A2TSHRMAPTALOX15

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-4096673-A1 MODULATION OF IMMUNE CELLS Octagon Therapeutics Inc. (US) 2022-12-07 EP disclosed
WO-2021155277-A1 MODULATION OF IMMUNE CELLS OCTAGON THERAPEUTICS, INC. (US) 2021-08-05 WO disclosed