SCHEMBL28622384

SCHEMBL28622384

C=Cc1cc(C(C)C)c(O)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
MAPT P10636 6/20 0.45
PKM P14618 4/20 0.45
CYP1A2 P05177 4/20 0.45
CYP2D6 P10635 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2C9 P11712 2/20 0.45
ALOX15 P16050 2/20 0.45
HIF1A Q16665 2/20 0.45
THRB P10828 1/20 0.45
TRPA1 O75762 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
MAPK1 P28482 1/20 0.41
G6PD P11413 3/20 0.39
ALDH1A1 P00352 4/20 0.38

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
SCHEMBL18432518 0.82 LMNA (0.31) LMNA
SCHEMBL3379260 0.81 LMNA (0.53) LMNAMAPTPKMCYP1A2CYP2D6
SCHEMBL11407964 0.80 LMNA (0.42) LMNAMAPTPKMCYP1A2CYP2D6
SCHEMBL28149229 0.79 MAPT (0.39) LMNAMAPTPKMCYP1A2CYP2D6
SCHEMBL5386070 0.77 KDM4E (0.48) LMNAMAPTPKMCYP1A2CYP2D6
SCHEMBL214157 0.77 LMNA (0.68) LMNAMAPTPKMCYP1A2CYP2D6
SCHEMBL29872559 0.77 LMNA (0.68) LMNAMAPTPKMCYP1A2CYP2D6
SCHEMBL1245089 0.74 LMNA (0.65) LMNAMAPTPKMCYP1A2CYP2D6
SCHEMBL69082 0.74 LMNA (0.65) LMNAMAPTPKMCYP1A2CYP2D6
SCHEMBL9556365 0.74 LMNA (0.65) LMNAMAPTPKMCYP1A2CYP2D6

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
CN-113248638-A Phosphine metallocene catalyst, preparation method and application 北京化工大学 2021-08-13 CN disclosed