SCHEMBL4021386

SCHEMBL4021386

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC(O)[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.74
HSD17B10 Q99714 3/20 0.74
TDP1 Q9NUW8 3/20 0.74
EPHA2 P29317 3/20 0.74
AKR1B10 O60218 2/20 0.74
AKR1B1 P15121 2/20 0.74
LMNA P02545 2/20 0.74
EFNA1 P20827 1/20 0.74
PSEN1 P49768 1/20 0.74
PSEN2 P49810 1/20 0.74
APH1B Q8WW43 1/20 0.74
NCSTN Q92542 1/20 0.74
APH1A Q96BI3 1/20 0.74
PSENEN Q9NZ42 1/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
VDR P11473 4/20 0.69
CASP7 P55210 3/20 0.69
TP53 P04637 2/20 0.69
MAPK1 P28482 2/20 0.69

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
SCHEMBL10440804 1.00 GPBAR1 (0.74) GPBAR1HSD17B10TDP1EPHA2AKR1B10
SCHEMBL15155966 1.00 GPBAR1 (0.74) GPBAR1HSD17B10TDP1EPHA2AKR1B10
SCHEMBL26641727 0.91 GPBAR1 (0.60) GPBAR1HSD17B10TDP1EPHA2AKR1B10
SCHEMBL8080693 0.87 GPBAR1 (0.54) GPBAR1HSD17B10TDP1EPHA2AKR1B10
SCHEMBL29072548 0.87 GPBAR1 (0.56) GPBAR1HSD17B10TDP1EPHA2AKR1B10
SCHEMBL235606 0.87 GPBAR1 (0.77) GPBAR1HSD17B10TDP1EPHA2AKR1B10
SCHEMBL235607 0.87 GPBAR1 (0.77) GPBAR1HSD17B10TDP1EPHA2AKR1B10
SCHEMBL26670009 0.87 GPBAR1 (0.77) GPBAR1HSD17B10TDP1EPHA2AKR1B10
SCHEMBL7606272 0.86 GPBAR1 (0.70) GPBAR1HSD17B10TDP1EPHA2AKR1B10
SCHEMBL6428952 0.86 GPBAR1 (0.70) GPBAR1HSD17B10TDP1EPHA2AKR1B10

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-1583564-B1 IMPROVED LINKERS FOR RADIOPHARMACEUTICAL COMPOUNDS BRACCO IMAGING SPA (IT) 2009-07-01 EP disclosed