SCHEMBL9876533

SCHEMBL9876533

CCC1(C)COC(c2ccccc2)OC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 1/20 0.60
KCNA4 P22459 1/20 0.46
KCNA1 Q09470 1/20 0.46
KCNAB1 Q14722 1/20 0.46
BRD4 O60885 1/20 0.43
MAPK1 P28482 1/20 0.41
KDM1A O60341 7/20 0.41
MAOA P21397 7/20 0.41
MAOB P27338 7/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
SOAT1 P35610 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL10158721 0.84 MEN1 (0.58) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL13352408 0.81 MEN1 (0.60) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL8608558 0.80 MEN1 (0.69) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL10612207 0.80 LPL (0.39) MEN1CYP2C19KMT2ABRD4MAPK1
SCHEMBL10612205 0.80 LPL (0.39) MEN1CYP2C19KMT2ABRD4MAPK1
SCHEMBL10612728 0.78 ELANE (0.39) MEN1CYP2C19KMT2AMAPK1ALDH1A1
SCHEMBL10612731 0.78 ELANE (0.39) MEN1CYP2C19KMT2AMAPK1ALDH1A1
SCHEMBL4812907 0.77 MEN1 (0.55) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL9619377 0.76 MEN1 (0.53) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL16359538 0.76 MAPK1 (0.55) MEN1CYP2C19KMT2AKCNA4KCNA1

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
EP-0254078-B1 PYRAN DERIVATIVES BASF Aktiengesellschaft (DE) 1991-02-06 EP disclosed