SCHEMBL7146262

SCHEMBL7146262

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.70
EPHA2 P29317 3/20 0.70
VDR P11473 1/20 0.70
ABCC4 O15439 1/20 0.63
ABCC1 P33527 1/20 0.63
HSD17B10 Q99714 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
AKR1B10 O60218 1/20 0.60
AKR1B1 P15121 1/20 0.60
EFNA1 P20827 1/20 0.60
PSEN1 P49768 1/20 0.60
PSEN2 P49810 1/20 0.60
APH1B Q8WW43 1/20 0.60
NCSTN Q92542 1/20 0.60
APH1A Q96BI3 1/20 0.60
PSENEN Q9NZ42 1/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
KMT2A Q03164 1/20 0.60
SLC10A1 Q14973 3/20 0.59

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
SCHEMBL381612 0.90 GPBAR1 (0.74) GPBAR1EPHA2VDRABCC4HSD17B10
SCHEMBL4751618 0.90 GPBAR1 (0.74) GPBAR1EPHA2VDRABCC4HSD17B10
SCHEMBL10906860 0.90 GPBAR1 (0.74) GPBAR1EPHA2VDRABCC4HSD17B10
SCHEMBL4331335 0.87 GPBAR1 (0.73) GPBAR1EPHA2VDRABCC4ABCC1
SCHEMBL4326984 0.87 EPHA2 (0.84) GPBAR1EPHA2VDRABCC4ABCC1
SCHEMBL4326989 0.87 EPHA2 (0.84) GPBAR1EPHA2VDRABCC4ABCC1
SCHEMBL6364729 0.87 EPHA2 (0.84) GPBAR1EPHA2VDRABCC4ABCC1
SCHEMBL9636455 0.86 GPBAR1 (0.72) GPBAR1EPHA2VDRABCC4ABCC1
SCHEMBL8769124 0.85 GPBAR1 (0.61) GPBAR1EPHA2VDRABCC4ABCC1
SCHEMBL11573739 0.85 GPBAR1 (0.60) GPBAR1EPHA2VDRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080103-A4 COMPOSITIONS AND METHODS FOR NON-PARENTERAL DELIVERY OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2003-07-02 EP disclosed
EP-1080103-A1 COMPOSITIONS AND METHODS FOR NON-PARENTERAL DELIVERY OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2001-03-07 EP disclosed
WO-1999060012-A1 COMPOSITIONS AND METHODS FOR NON-PARENTERAL DELIVERY OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1999-11-25 WO disclosed