SCHEMBL11525697

SCHEMBL11525697

C=C(C)C(=O)OCCn1ccccc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PSMB1 P20618 2/20 0.42
TSHR P16473 4/20 0.40
THRB P10828 1/20 0.39
POLB P06746 3/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SLC18A3 Q16572 1/20 0.35
PSMB5 P28074 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL27739460 0.84 L3MBTL1 (0.51) NPC1MITFLMNATP53RAB9A
SCHEMBL11529679 0.80 POLB (0.37) NPC1RAB9ATSHRTHRBPOLB
SCHEMBL28748119 0.79 KDM4E (0.56) NPC1MITFLMNATP53RAB9A
SCHEMBL31556453 0.78 THRB (0.43) SMN1; SMN2TSHRTHRBPOLBAPEX1
SCHEMBL29177490 0.78 L3MBTL1 (0.51) NPC1MITFLMNATP53RAB9A
SCHEMBL31211624 0.77 MAPK1 (0.55) NPC1LMNARAB9ASMN1; SMN2HTT
SCHEMBL3821123 0.77 MAPK1 (0.55) NPC1LMNARAB9ASMN1; SMN2HTT
SCHEMBL9561657 0.76 THRB (0.47) TP53TSHRTHRBPOLBAPEX1
SCHEMBL11529095 0.75 THRB (0.38) SMN1; SMN2TSHRTHRBPOLBAPEX1
SCHEMBL210721 0.75 SMN1; SMN2 (0.60) NPC1LMNARAB9ASMN1; SMN2TSHR

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
US-4159202-A PHOTOCOPYING HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed