SCHEMBL29104152

SCHEMBL29104152

COc1ccc2c(c1)cc(C1CCCCC1=O)n2C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.41
PDE2A O00408 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
MTNR1A P48039 1/20 0.37
MAOA P21397 1/20 0.37
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
SCHEMBL29104138 0.83 RXFP1 (0.38) KDM4EALDH1A1HPGDHSD17B10PDE2A
SCHEMBL29104119 0.82 MCL1 (0.43) L3MBTL1HPGD
SCHEMBL29104129 0.82 AHR (0.40)
SCHEMBL29104112 0.82 HPGD (0.43) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29104132 0.80 DAO (0.42) HSD17B10BRD4
SCHEMBL29104123 0.75 MCHR1 (0.35) KDM4EALDH1A1HSD17B10PDE2APDE3B
SCHEMBL29104139 0.74 MCHR1 (0.43) L3MBTL1KDM4EALDH1A1HPGDBRD4
SCHEMBL29104144 0.74 MCHR1 (0.35) KDM4EALDH1A1HPGDHSD17B10MAOA
SCHEMBL29104149 0.74 MTNR1A (0.43) MAPK1MTNR1A
SCHEMBL318066 0.70 MAPK1 (0.56) ALDH1A1HPGDSMN1; SMN2MAPK1MAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117003738-A Imidazole spiro compound and synthesis method thereof 湘潭大学 2023-11-07 CN claimed
CN-117003738-A Imidazole spiro compound and synthesis method thereof 湘潭大学 2023-11-07 CN disclosed