SCHEMBL29423909

SCHEMBL29423909

CCOC(=O)[C@H]1[C@@H]2Cc3cc(OCc4cccc(Br)c4)ccc3[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.47
MAOA P21397 6/20 0.47
FFAR1 O14842 3/20 0.46
PARP15 Q460N3 3/20 0.45
PARP10 Q53GL7 2/20 0.45
PARP14 Q460N5 1/20 0.45
FFAR4 Q5NUL3 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL18940297 0.86 FFAR1 (0.50) MAOBMAOAFFAR1PARP15PARP10
SCHEMBL29423893 0.84 FFAR1 (0.41) FFAR1
SCHEMBL16846002 0.84 FFAR1 (0.41) FFAR1
SCHEMBL29423919 0.84 FFAR1 (0.41) FFAR1
SCHEMBL29423928 0.83 FFAR1 (0.42) FFAR1
SCHEMBL29423905 0.83 FFAR1 (0.42) FFAR1
SCHEMBL1478108 0.83 KDM1A (0.47) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12749434 0.83 KDM1A (0.47) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1478110 0.83 KDM1A (0.47) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL15085312 0.81 POLB (0.45) MAOBFFAR1ALDH1A1

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-3974413-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2022-03-30 EP disclosed