SCHEMBL15212923

SCHEMBL15212923

Cc1c(O)ccc2c(CC(=O)O)occ12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX15 P16050 2/20 0.44
POLB P06746 2/20 0.36
HPGD P15428 4/20 0.36
GAA P10253 4/20 0.36
KDM4E B2RXH2 3/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NFKB1 P19838 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
RGS12 O14924 1/20 0.36
LMNA P02545 1/20 0.36
APEX1 P27695 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
GNAI1 P63096 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 3/20 0.35

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
SCHEMBL15212927 0.81 CA2 (0.40) MAPTSMN1; SMN2ALOX15POLBHPGD
SCHEMBL9276591 0.73 SMN1; SMN2 (0.75) MAPTSMN1; SMN2ALOX15POLBHPGD
SCHEMBL12474263 0.69 LCK (0.44) MAPTSMN1; SMN2ALOX15HPGDTSHR
SCHEMBL2002927 0.66 AKR1B1 (0.52) MAPTSMN1; SMN2POLBHPGDGAA
SCHEMBL27627933 0.66 AKR1B1 (0.47) MAPTSMN1; SMN2POLBHPGDGAA
SCHEMBL1650809 0.66 KDM4E (0.50) HPGDGAAKDM4EHSD17B10TDP1
SCHEMBL29771854 0.65 ESR2 (0.50) SMN1; SMN2HPGDGAAKDM4EHSD17B10
SCHEMBL9623486 0.65 ESR2 (0.50) SMN1; SMN2HPGDGAAKDM4EHSD17B10
Cyclopropane SCHEMBL11661912 0.65 ALOX15 (0.39) MAPTSMN1; SMN2ALOX15POLBHPGD
SCHEMBL31266634 0.64 AKR1B1 (0.43) MAPTSMN1; SMN2POLBHPGDGAA

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
EP-2838891-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-25 EP disclosed
WO-2013125732-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-29 WO disclosed