SCHEMBL12374330

SCHEMBL12374330

CCCCOc1ccc(C2(c3ccc(OCCCC)c(C)c3)c3cc(C)ccc3-c3ccc(C)cc32)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.41
L3MBTL1 Q9Y468 5/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.38
THRB P10828 1/20 0.38
RAB9A P51151 3/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
KDM4E B2RXH2 6/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL12924691 0.95 ESR1 (0.43) ESR1L3MBTL1HPGDTSHRMAPK1
SCHEMBL12924685 0.95 ESR1 (0.43) ESR1L3MBTL1HPGDTSHRMAPK1
SCHEMBL11956139 0.89 ESR1 (0.41) ESR1L3MBTL1HPGDTSHRMAPK1
SCHEMBL12924817 0.84 PTPN11 (0.49) ALDH1A1GAATHRBKMT2AKDM4E
SCHEMBL12374343 0.83 PDK2 (0.43) L3MBTL1MAPTALDH1A1GAARAB9A
SCHEMBL12620452 0.81 PDK2 (0.45) TSHRRAB9AKMT2ANPC1MEN1
SCHEMBL12374325 0.81 ALDH1A1 (0.37) ESR1L3MBTL1HPGDTSHRMAPK1
SCHEMBL12924837 0.80 PTPN11 (0.49) HPGDTSHRALDH1A1GAAKMT2A
SCHEMBL12374328 0.80 ACHE (0.44) ESR1L3MBTL1HPGDMAPK1SMN1; SMN2
SCHEMBL6123912 0.80 NR5A1 (0.46) TSHRRAB9ANPC1TP53

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-20110187266-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-04 US disclosed