SCHEMBL13004751

SCHEMBL13004751

Oc1cccc2c(C3CCCCC3)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
IDO1 P14902 2/20 0.45
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NUDT1 P36639 1/20 0.39
BACE1 P56817 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP1A2 P05177 2/20 0.39
HSD17B10 Q99714 2/20 0.39
APP P05067 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 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
SCHEMBL11002147 0.92 IDO1 (0.53) ESR1ESR2IDO1HDAC4HDAC2
SCHEMBL11007946 0.90 IDO1 (0.52) ESR1ESR2IDO1HDAC4HDAC2
SCHEMBL6348968 0.84 NUDT1 (0.40) ESR1ESR2IDO1HDAC4HDAC2
SCHEMBL28835351 0.82 IDO1 (0.56) ESR1ESR2IDO1MEN1KMT2A
SCHEMBL13004839 0.82 IDO1 (0.56) ESR1ESR2IDO1MEN1KMT2A
SCHEMBL13004840 0.81 HSD17B10 (0.55) ESR1ESR2IDO1HDAC4HDAC2
SCHEMBL6346108 0.81 PTPN22 (0.38) IDO1HDAC4HDAC2HDAC8MEN1
SCHEMBL1053897 0.80 HDAC4 (0.46) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL4556222 0.79 KMT2A (0.55) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL4960570 0.79 KMT2A (0.55) HDAC4HDAC2HDAC8MEN1KMT2A

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
US-20100316950-A1 COMPOSITION FOR FORMING BASE FILM FOR LITHOGRAPHY AND METHOD FOR FORMING MULTILAYER RESIST PATTERN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-12-16 US disclosed
US-20100316950-A1 COMPOSITION FOR FORMING BASE FILM FOR LITHOGRAPHY AND METHOD FOR FORMING MULTILAYER RESIST PATTERN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-12-16 US disclosed