SCHEMBL29705667

SCHEMBL29705667

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.41
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.38
CYP1A2 P05177 2/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL23164166 1.00 MAOB (0.41) MAOBHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL23164163 1.00 MAOB (0.41) MAOBHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL19384249 0.90 KMT2A (0.46) MAOBHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL19399867 0.82 KDM4E (0.45) MAOBHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL23164157 0.80 OGG1 (0.44) MAOBALDH1A1KDM4ELMNAKMT2A
SCHEMBL23164029 0.80 PPARG (0.47) MAOBALDH1A1LMNAMRGPRX4KMT2A
SCHEMBL29705756 0.80 PPARG (0.47) MAOBALDH1A1LMNAMRGPRX4KMT2A
SCHEMBL23164155 0.80 OGG1 (0.44) MAOBALDH1A1KDM4ELMNAKMT2A
SCHEMBL23164031 0.80 PPARG (0.47) MAOBALDH1A1LMNAMRGPRX4KMT2A
SCHEMBL28749488 0.80 OGG1 (0.44) MAOBALDH1A1KDM4ELMNAKMT2A

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