SCHEMBL25878380

SCHEMBL25878380

COc1c(C)ccc2c1oc1cc(C)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.41
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
MAOB P27338 3/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CSNK2A2 P19784 1/20 0.37

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
SCHEMBL25878530 0.81 ALDH1A1 (0.37) HPGDMEN1KMT2AMAPTMAOB
SCHEMBL13563983 0.80 MAOB (0.48) KDM4EHPGDMEN1KMT2AHSD17B10
SCHEMBL11976514 0.79 MCL1 (0.43) KDM4EHPGDMEN1KMT2AHSD17B10
SCHEMBL22068539 0.76 ALDH1A1 (0.42) KDM4EHPGDMEN1KMT2AHSD17B10
SCHEMBL26771753 0.76 MAOB (0.40) KDM4EHPGDMEN1KMT2AHSD17B10
SCHEMBL25878375 0.75 KDM4E (0.45) MAOAKDM4EHPGDMEN1KMT2A
SCHEMBL26673869 0.74 ACHE (0.43) MAOAKDM4EHPGDMEN1KMT2A
SCHEMBL14565445 0.74 CYP1A2 (0.46) HPGDHSD17B10MAPTMAOBALDH1A1
SCHEMBL10031365 0.73 MAOB (0.50) KDM4EHPGDMEN1KMT2AHSD17B10
SCHEMBL10079563 0.73 KDM4E (0.51) MAOAKDM4EHPGDMEN1KMT2A

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-2023134594-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