SCHEMBL21783167

SCHEMBL21783167

CCc1cc2c(=O)c(C(=O)O)cn(CC)c2cc1N1CCN(C(=O)OC(P(=O)(O)O)P(=O)(O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.55
▸ DRD3 P35462 1/20 0.53
▸ KDM4E B2RXH2 8/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ HTT P42858 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PIK3CD O00329 1/20 0.50
▸ PIK3R1 P27986 1/20 0.50
▸ PIK3CA P42336 1/20 0.50
▸ PIK3CG P48736 1/20 0.50
▸ BRD4 O60885 1/20 0.50
▸ CYP2J2 P51589 1/20 0.50

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
SCHEMBL21074647 0.90 HSD17B10 (0.69) HSD17B10DRD3KDM4EMEN1KMT2A
SCHEMBL7878070 0.78 HSD17B10 (0.73) HSD17B10DRD3KDM4EMEN1KMT2A
SCHEMBL21783166 0.77 HSD17B10 (0.55) HSD17B10DRD3KDM4EMEN1KMT2A
SCHEMBL23197066 0.77 LMNA (0.65) HSD17B10DRD3KDM4EMEN1KMT2A
SCHEMBL21074769 0.76 HSD17B10 (0.69) HSD17B10DRD3KDM4EMEN1KMT2A
SCHEMBL10669929 0.76 HSD17B10 (0.69) HSD17B10DRD3KDM4EMEN1KMT2A
SCHEMBL21783230 0.76 LMNA (0.50) HSD17B10KDM4EMEN1KMT2AHIF1A
SCHEMBL29548937 0.76 HSD17B10 (0.78) HSD17B10DRD3KDM4EMEN1KMT2A
SCHEMBL27397656 0.76 HSD17B10 (0.78) HSD17B10DRD3KDM4EMEN1KMT2A
SCHEMBL19668774 0.75 KDM4E (0.61) HSD17B10DRD3KDM4EMEN1KMT2A

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-2020014269-A9 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BIOVINC, LLC. (US) 2020-03-05 — — WO disclosed
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