SCHEMBL25857970

SCHEMBL25857970

COc1c(C)ccc2c1sc1c(C)c(C)ccc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL11976506 0.83 CYP1A2 (0.37) KDM4EALDH1A1MAPT
SCHEMBL17192345 0.81 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2ESR1ESR2
SCHEMBL18699553 0.75 ALDH1A1 (0.34) KDM4EALDH1A1MAPTSMN1; SMN2ESR1
SCHEMBL18699509 0.72 MCL1 (0.31)
SCHEMBL862783 0.72 CYP1A2 (0.42) KDM4EALDH1A1MAPTSMN1; SMN2ESR2
SCHEMBL30968870 0.71 ALDH1A1 (0.39) KDM4EALDH1A1MEN1MAPTALOX15
SCHEMBL146614 0.71 ALDH1A1 (0.39) KDM4EALDH1A1MEN1MAPTALOX15
SCHEMBL15315856 0.71 KDM4E (0.52) KDM4EALDH1A1MEN1MAPTALOX15
SCHEMBL19725416 0.71 ALDH1A1 (0.41) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL17192256 0.70 ALDH1A1 (0.43) KDM4EALDH1A1MEN1USP2MAPT

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-2023134596-A1 NEGATIVE DIELECTRIC ANISOTROPIC LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIER, AND LIQUID CRYSTAL DISPLAY COMPONENT 烟台显华科技集团股份有限公司 2023-07-20 WO disclosed