SCHEMBL19502268

SCHEMBL19502268

C=C(C)c1ccccc1CP

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HPGD P15428 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
FOLH1 Q04609 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
GFER P55789 1/20 0.31
CLCN2 P51788 1/20 0.30
NPC1 O15118 1/20 0.30
HSPA5 P11021 1/20 0.30

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
SCHEMBL3284499 0.82 ALDH1A1 (0.43) ALDH1A1LMNAMAOAMAOBMEN1
SCHEMBL721894 0.80 GABRA1 (0.44) ALDH1A1LMNAHPGDFOLH1GAA
SCHEMBL1066307 0.80 LMNA (0.43) ALDH1A1LMNAMAOAMAOBHPGD
SCHEMBL29396009 0.80 GABRA1 (0.44) ALDH1A1LMNAHPGDFOLH1GAA
SCHEMBL18599713 0.78 PNMT (0.41) ALDH1A1LMNAMAOAMAOB
SCHEMBL3976485 0.78 ALDH1A1 (0.37) ALDH1A1LMNAMAOAMAOBHPGD
SCHEMBL7939440 0.78 ALDH1A1 (0.35) ALDH1A1LMNAMAOAMAOBHPGD
SCHEMBL10991103 0.78 ALDH1A1 (0.37) ALDH1A1LMNAMAOAMAOBHPGD
SCHEMBL1705657 0.77 TSHR (0.48) ALDH1A1LMNAMAOAMAOBHPGD
Hydrochloric Acid SCHEMBL22401232 0.77 PNMT (0.40) ALDH1A1LMNAMAOAMAOB

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-2315740-B1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2017-10-25 EP disclosed