SCHEMBL25808294

SCHEMBL25808294

CCCC(=O)Oc1ccc(Br)cc1C(=O)Cc1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.45
LRRK2 Q5S007 2/20 0.43
HIF1A Q16665 1/20 0.43
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A4 P31645 2/20 0.39
AKR1C3 P42330 6/20 0.39
AKR1C2 P52895 1/20 0.39
MAOB P27338 1/20 0.37

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
SCHEMBL30494456 0.76 HPGD (0.47) CNR2LRRK2ALOX15CYP1A2MAPT
SCHEMBL11100 0.76 HPGD (0.47) CNR2LRRK2ALOX15CYP1A2MAPT
SCHEMBL29980690 0.75 DGAT1 (0.49) CNR2LRRK2HIF1ACYP1A2CYP3A4
SCHEMBL5605436 0.72 PTGDR2 (0.47) LRRK2MAPT
SCHEMBL14856099 0.71 PTPN7 (0.61) HIF1AMAPTMAOB
SCHEMBL6511713 0.70 GSK3B (0.46) MAPTMAOB
SCHEMBL11080103 0.70 VNN1 (0.52) CNR2MAOB
SCHEMBL1647303 0.69 LRRK2 (0.67) LRRK2CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL27614322 0.69 KMT2A (0.52) ALOX15CYP1A2CYP2C9CYP2C19
SCHEMBL2003095 0.69 ALOX15 (0.51) ALOX15MAPT

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
WO-2023130334-A1 METHOD FOR PREPARING CHROMEN-4-ONE COMPOUND AND INTERMEDIATE THEREOF 同润生物医药(上海)有限公司 2023-07-13 WO disclosed