SCHEMBL22182773

SCHEMBL22182773

C[C@H](CCCO)[C@H]1CC[C@H]2C3CCC4C[C@H](O)CCC4(C)[C@H]3CCC12C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OSBP P22059 1/20 0.78
OSBP2 Q969R2 1/20 0.78
ST6GAL1 P15907 2/20 0.75
GPBAR1 Q8TDU6 9/20 0.74
NR1H4 Q96RI1 2/20 0.74
CASP7 P55210 3/20 0.72
HIF1A Q16665 3/20 0.72
TP53 P04637 2/20 0.72
MAPK1 P28482 2/20 0.72
HSD17B10 Q99714 2/20 0.72
BLM P54132 2/20 0.72
TDP1 Q9NUW8 2/20 0.72
VDR P11473 2/20 0.72
USP2 O75604 2/20 0.72
LMNA P02545 2/20 0.72
CYP3A4 P08684 2/20 0.72
MDM4 O15151 1/20 0.72
MAPT P10636 1/20 0.72
HSPD1 P10809 1/20 0.72
TSHR P16473 1/20 0.72

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
SCHEMBL5057516 1.00 OSBP (0.78) OSBPOSBP2ST6GAL1GPBAR1NR1H4
SCHEMBL231519 1.00 OSBP (0.78) OSBPOSBP2ST6GAL1GPBAR1NR1H4
SCHEMBL22894424 1.00 OSBP (0.78) OSBPOSBP2ST6GAL1GPBAR1NR1H4
SCHEMBL5057515 1.00 OSBP (0.78) OSBPOSBP2ST6GAL1GPBAR1NR1H4
SCHEMBL17817650 1.00 OSBP (0.78) OSBPOSBP2ST6GAL1GPBAR1NR1H4
SCHEMBL14601809 1.00 OSBP (0.78) OSBPOSBP2ST6GAL1GPBAR1NR1H4
SCHEMBL1252834 1.00 OSBP (0.78) OSBPOSBP2ST6GAL1GPBAR1NR1H4
SCHEMBL21946830 0.93 GPBAR1 (0.76) OSBPOSBP2ST6GAL1GPBAR1NR1H4
SCHEMBL24104272 0.91 OSBP (0.78) OSBPOSBP2ST6GAL1GPBAR1NR1H4
SCHEMBL24710285 0.91 OSBP (0.78) OSBPOSBP2ST6GAL1GPBAR1NR1H4

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-2020136292-A1 COMPOUNDS OF PHARMACEUTICAL INTEREST UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2020-07-02 WO disclosed