SCHEMBL11528658

SCHEMBL11528658

C=CC(=O)OCCn1ccccc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 3/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PSMB1 P20618 1/20 0.43
TSHR P16473 6/20 0.41
ALDH1A1 P00352 4/20 0.41
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PSMB5 P28074 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
SCHEMBL26032291 0.81 L3MBTL1 (0.45) L3MBTL1TP53NPC1MITFLMNA
SCHEMBL16090946 0.81 LMNA (0.45) L3MBTL1TP53NPC1MITFLMNA
SCHEMBL27739460 0.80 L3MBTL1 (0.51) L3MBTL1TP53NPC1MITFLMNA
SCHEMBL29177490 0.80 L3MBTL1 (0.51) L3MBTL1TP53NPC1MITFLMNA
SCHEMBL11525697 0.78 NPC1 (0.47) THRBL3MBTL1TP53NPC1MITF
SCHEMBL8943436 0.77 CDK4 (0.53) THRBNPC1LMNARAB9ASMN1; SMN2
SCHEMBL11228302 0.76 L3MBTL1 (0.50) THRBL3MBTL1TP53LMNATSHR
SCHEMBL9752736 0.75 L3MBTL1 (0.60) L3MBTL1TP53NPC1MITFLMNA
SCHEMBL29409695 0.74 MEN1 (0.66) THRBLMNASMN1; SMN2TSHRALDH1A1
SCHEMBL2033572 0.74 MEN1 (0.66) THRBLMNASMN1; SMN2TSHRALDH1A1

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