SCHEMBL9401182

SCHEMBL9401182

O=C(O)[C@H]1O[C@@H](O)[C@H](OCCc2ccccc2)[C@@H](O)[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.40
MAOB P27338 2/20 0.40
AKR1B10 O60218 2/20 0.38
AKR1B1 P15121 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GUSB P08236 1/20 0.36
HPSE Q9Y251 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
FFAR1 O14842 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
FGF2 P09038 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 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
SCHEMBL9401175 0.87 PDPK1 (0.44) HCAR2TDP1NPC1RAB9AL3MBTL1
SCHEMBL21594820 0.83 FGF2 (0.53) HCAR2MAOBAKR1B10AKR1B1HPSE
SCHEMBL9401184 0.83 FGF2 (0.53) HCAR2MAOBAKR1B10AKR1B1HPSE
SCHEMBL8825331 0.78 MAOB (0.51) MAOB
SCHEMBL29929163 0.78 PDPK1 (0.44) HCAR2TDP1NPC1RAB9AL3MBTL1
SCHEMBL3830803 0.74 PDPK1 (0.40) ALDH1A1TSHR
SCHEMBL8608514 0.74 GBA1 (0.53) HCAR2HPSEFGF2TP53CYP3A4
SCHEMBL8755198 0.72 SLC5A2 (0.50) MAOB
SCHEMBL9525866 0.72 ALDH1A1 (0.41) LMNAALDH1A1TSHRMAPK1
SCHEMBL7154155 0.72 FGF2 (0.47) HPSEFGF2ALDH1A1HPGD

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
US-5346997-A Treating hypertension, cystic fibrosis, baldness MURPHY JAMES G (US) 1994-09-13 US disclosed