SCHEMBL8095031

SCHEMBL8095031

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4C=CCC(N)C4C3)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.59
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 4/20 0.58
HPGD P15428 4/20 0.58
HTT P42858 4/20 0.58
LMNA P02545 2/20 0.58
TSHR P16473 2/20 0.58
BRD4 O60885 1/20 0.58
CYP2J2 P51589 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
NPC1 O15118 1/20 0.55
HIF1A Q16665 1/20 0.52
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 2/20 0.51
RAD52 P43351 1/20 0.50
PIK3CD O00329 2/20 0.49

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
SCHEMBL9044496 0.89 KDM4E (0.47) DRD3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL8091199 0.86 ALDH1A1 (0.44) DRD3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL8097813 0.85 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL8090936 0.84 KDM4E (0.59) DRD3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL8083248 0.84 DRD3 (0.53) DRD3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL10688019 0.82 DRD3 (0.67) DRD3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL10688010 0.82 DRD3 (0.67) DRD3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL10688024 0.82 DRD3 (0.67) DRD3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9048236 0.79 TOP1 (0.71) DRD3KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9749226 0.78 KDM4E (0.71) DRD3KDM4EALDH1A1HSD17B10HPGD

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
US-6018054-A INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
US-5556979-A ANIMAL FEEDS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed