SCHEMBL21603112

SCHEMBL21603112

CC(C)c1cc(Br)ccc1C1COCCO1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
ADRA2A P08913 1/20 0.31
PNMT P11086 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL31401142 0.77 MAPT (0.35) LMNAMAPTHTTBLM
SCHEMBL22040912 0.71 CYP2C19 (0.38)
SCHEMBL22040917 0.71 CYP2C19 (0.38)
SCHEMBL22040915 0.71 CYP2C19 (0.38)
SCHEMBL19729054 0.69 LTB4R (0.37) LMNAMAPTHTTGABRA1
SCHEMBL17865232 0.69 HTR2B (0.41) LMNA
SCHEMBL28917603 0.69 ALDH1A1 (0.40) MAPTHTT
SCHEMBL8250970 0.69 TSHR (0.40)
SCHEMBL22482296 0.67 KDM1A (0.33)
SCHEMBL2177894 0.66 HTR2C (0.40)

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-2020004521-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES Meiji Seikaファルマ株式会社 2020-01-02 WO disclosed