SCHEMBL8377649

SCHEMBL8377649

Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OC(=O)c2ccccc21.[NaH].[NaH]

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.97
LMNA P02545 6/20 0.97
NPSR1 Q6W5P4 3/20 0.97
CYP3A4 P08684 3/20 0.97
CYP2C19 P33261 2/20 0.97
TP53 P04637 2/20 0.97
ALOX15 P16050 2/20 0.97
CYP1A2 P05177 1/20 0.97
CYP2D6 P10635 1/20 0.97
CYP2C9 P11712 1/20 0.97
PAX8 Q06710 1/20 0.97
HIF1A Q16665 1/20 0.97
DHFR P00374 1/20 0.65
POLB P06746 2/20 0.60
GPR55 Q9Y2T6 2/20 0.60
ALOX12 P18054 1/20 0.60
CDK2 P24941 2/20 0.58
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
TDP1 Q9NUW8 4/20 0.55

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
SCHEMBL29942223 0.99 MAPT (1.00) MAPTLMNANPSR1CYP3A4CYP2C19
SCHEMBL62716 0.99 MAPT (1.00) MAPTLMNANPSR1CYP3A4CYP2C19
SCHEMBL29559864 0.99 MAPT (1.00) MAPTLMNANPSR1CYP3A4CYP2C19
Methyl Alcohol SCHEMBL28942674 0.97 MAPT (0.97) MAPTLMNANPSR1CYP3A4CYP2C19
Phosphoric Acid SCHEMBL25304886 0.95 MAPT (0.88) MAPTLMNANPSR1CYP3A4CYP2C19
SCHEMBL18719794 0.95 MAPT (0.93) MAPTLMNANPSR1CYP3A4CYP2C19
Alcohol SCHEMBL10800073 0.94 MAPT (0.91) MAPTLMNANPSR1CYP3A4CYP2C19
Phosphoric Acid SCHEMBL592058 0.94 MAPT (0.91) MAPTLMNANPSR1CYP3A4CYP2C19
Phosphoric Acid SCHEMBL11191628 0.93 MAPT (0.88) MAPTLMNANPSR1CYP3A4CYP2C19
Cyanate SCHEMBL27717703 0.93 MAPT (0.88) MAPTLMNANPSR1CYP3A4CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11140358-A None JP disclosed
JP-H11140358-A INK COMPOSITION BROTHER IND LTD 1999-05-25 JP disclosed