SCHEMBL9575925

SCHEMBL9575925

CC(O)(C=O)Cc1ccc(OCC2CO2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPT P10636 4/20 0.58
TP53 P04637 3/20 0.58
TSHR P16473 3/20 0.58
HPGD P15428 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HIF1A Q16665 2/20 0.58
CYP1A2 P05177 1/20 0.58
PPARG P37231 1/20 0.58
PKM P14618 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.42
CYP3A4 P08684 1/20 0.42
GLA P06280 1/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 5/20 0.40
MCHR1 Q99705 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
SCHEMBL9575589 0.89 ALDH1A1 (0.46) ALDH1A1MAPTTP53TSHRHPGD
SCHEMBL9575977 0.87 TP53 (0.44) ALDH1A1MAPTTP53TSHRHPGD
SCHEMBL8994235 0.81 ALDH1A1 (0.66) ALDH1A1MAPTTP53TSHRHPGD
SCHEMBL11593648 0.80 ALDH1A1 (0.56) ALDH1A1MAPTTP53TSHRHPGD
SCHEMBL142165 0.77 ALDH1A1 (0.64) ALDH1A1MAPTTP53TSHRHPGD
SCHEMBL3975354 0.77 THRA (0.38) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL788296 0.76 SMN1; SMN2 (0.50) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL19644362 0.76 SMN1; SMN2 (0.50) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL24385166 0.75 ALDH1A1 (0.81) ALDH1A1MAPTTP53TSHRHPGD
SCHEMBL12440176 0.75 ALDH1A1 (1.00) ALDH1A1MAPTTP53TSHRHPGD

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-0281941-B1 Coreactive photoinitiators CIBA GEIGY AG (CH) 1993-12-08 EP claimed