SCHEMBL29705756

SCHEMBL29705756

OCC[C@H](CO)Oc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
SLC6A4 P31645 1/20 0.43
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
NR4A2 P43354 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC1A5 Q15758 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MAOB P27338 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CES2 O00748 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
SCHEMBL23164029 1.00 PPARG (0.47) PPARGPPARASLC6A4HPGDMEN1
SCHEMBL23164031 1.00 PPARG (0.47) PPARGPPARASLC6A4HPGDMEN1
SCHEMBL28749488 0.80 OGG1 (0.44) SLC6A4KMT2AALDH1A1MAOBLMNA
SCHEMBL29705667 0.80 MAOB (0.41) KMT2AMRGPRX4ALDH1A1MAOBLMNA
SCHEMBL29705659 0.80 OGG1 (0.44) SLC6A4KMT2AALDH1A1MAOBLMNA
SCHEMBL23164166 0.80 MAOB (0.41) KMT2AMRGPRX4ALDH1A1MAOBLMNA
SCHEMBL23164155 0.80 OGG1 (0.44) SLC6A4KMT2AALDH1A1MAOBLMNA
SCHEMBL23164157 0.80 OGG1 (0.44) SLC6A4KMT2AALDH1A1MAOBLMNA
SCHEMBL23164163 0.80 MAOB (0.41) KMT2AMRGPRX4ALDH1A1MAOBLMNA
SCHEMBL29705631 0.80 OGG1 (0.44) SLC6A4KMT2AALDH1A1MAOBLMNA

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
CN-114555573-A Prostaglandin E2(PGE2)EP4Receptor antagonists 多曼治疗学公司 2022-05-27 CN disclosed