SCHEMBL20039924

SCHEMBL20039924

COc1ccc2c(c1)OC(C)(C)C(C)C2N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCB1 P08183 3/20 0.41
HTR1A P08908 3/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
SLC6A2 P23975 2/20 0.41
OPRM1 P35372 2/20 0.41
SLC6A3 Q01959 2/20 0.41
DRD3 P35462 2/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A4 P31645 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
SCHEMBL9529241 0.74 HTR2B (0.43) KDM4EMEN1MAPTKMT2AABCB1
SCHEMBL9529232 0.74 HTR2B (0.43) KDM4EMEN1MAPTKMT2AABCB1
SCHEMBL9529220 0.74 HTR2B (0.43) KDM4EMEN1MAPTKMT2AABCB1
SCHEMBL3578838 0.74 MAPT (0.47) KDM4EMEN1MAPTKMT2AABCB1
SCHEMBL25659982 0.72 MAPT (0.45) KDM4EMEN1MAPTKMT2AABCB1
SCHEMBL224104 0.71 HIF1A (0.45) MEN1MAPTKMT2AABCB1HTR1A
Hydrochloric Acid SCHEMBL6596529 0.69 CYP19A1 (0.45) KDM4EMEN1MAPTKMT2AABCB1
SCHEMBL10652491 0.68 MAPT (0.42) KDM4EMEN1MAPTKMT2AABCB1
SCHEMBL619734 0.68 MAPT (0.44) KDM4EMEN1MAPTKMT2AABCB1
SCHEMBL31260267 0.68 MAPT (0.47) KDM4EMEN1MAPTKMT2AABCB1

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-3305794-A1 SELECTIVE MODULATORS OF THE ACTIVITY OF THE GPR55 RECEPTOR: CHROMENOPYRAZOLE DERIVATIVES Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2018-04-11 EP disclosed