SCHEMBL21286791

SCHEMBL21286791

CCCCC/C(C)=C/c1cccc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM5 P08912 1/20 0.45
FAAH O00519 2/20 0.44
RELA Q04206 1/20 0.44
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
AHR P35869 1/20 0.42
FBP1 P09467 1/20 0.42
NFE2L2 Q16236 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL3145879 0.83 EPHX2 (0.49) EPHX2MEN1ALDH1A1KMT2AFAAH
SCHEMBL3145890 0.83 EPHX2 (0.49) EPHX2MEN1ALDH1A1KMT2AFAAH
SCHEMBL5319431 0.80 MEN1 (0.53) EPHX2MEN1ALDH1A1KMT2AFAAH
SCHEMBL11052405 0.78 ALDH1A1 (0.50) MEN1ALDH1A1KMT2ACHRM5RELA
SCHEMBL2773836 0.77 LMNA (0.62) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7316471 0.76 APP (0.59) EPHX2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3540130 0.76 ALOX5 (0.58) EPHX2MEN1ALDH1A1KMT2AMAPT
SCHEMBL7316473 0.76 APP (0.59) EPHX2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2774575 0.76 TDP1 (0.63) EPHX2MEN1ALDH1A1KMT2A
SCHEMBL10900298 0.76 TDP1 (0.63) EPHX2MEN1ALDH1A1KMT2A

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-2019159168-A1 CANNABINOID DERIVATIVES AND CONJUGATES AND USES THEREOF BEETLEBUNG PHARMA LTD. (IL) 2019-08-22 WO disclosed