SCHEMBL19852957

SCHEMBL19852957

CC(C)=CCCC(C)[C@@H]1CCC2C3CCC4CC(Oc5ccc(N)cc5N)CCC4(C)C3CCC21C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.49
USP2 O75604 2/20 0.49
CDC25A P30304 2/20 0.46
RORC P51449 1/20 0.46
GPBAR1 Q8TDU6 3/20 0.46
HIF1A Q16665 2/20 0.46
CYP2C9 P11712 1/20 0.46
CASP7 P55210 3/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.46
BLM P54132 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MDM4 O15151 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HSPD1 P10809 1/20 0.46
TSHR P16473 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46

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
SCHEMBL9999534 1.00 VDR (0.49) VDRUSP2CDC25ARORCGPBAR1
SCHEMBL28182074 0.87 CDC25A (0.59) VDRUSP2CDC25AST6GAL1
SCHEMBL28182075 0.87 CDC25A (0.59) VDRUSP2CDC25AST6GAL1
SCHEMBL1469958 0.87 CDC25A (0.59) VDRUSP2CDC25AST6GAL1
SCHEMBL19853035 0.87 CDC25A (0.59) VDRUSP2CDC25AST6GAL1
SCHEMBL9999536 0.87 CDC25A (0.59) VDRUSP2CDC25AST6GAL1
SCHEMBL9999535 0.85 RORC (0.42) VDRUSP2RORCGPBAR1NR1H4
SCHEMBL9999583 0.84 RORC (0.46) VDRUSP2RORCGPBAR1HIF1A
SCHEMBL10017546 0.81 CDC25A (0.60) VDRUSP2CDC25AST6GAL1
SCHEMBL22173507 0.81 CDC25A (0.52) USP2CDC25ALMNAST6GAL1

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
WO-2018025872-A1 LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH LIQUID CRYSTAL PANEL HAVING CURVED SURFACE AND LIQUID CRYSTAL ALIGNING AGENT FOR SAME 日産化学工業株式会社 2018-02-08 WO disclosed