SCHEMBL7701568

SCHEMBL7701568

C[C@H](CCO)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.75
EPHA2 P29317 3/20 0.75
HSD17B10 Q99714 3/20 0.75
TDP1 Q9NUW8 3/20 0.75
AKR1B10 O60218 2/20 0.75
AKR1B1 P15121 2/20 0.75
LMNA P02545 2/20 0.75
EFNA1 P20827 1/20 0.75
PSEN1 P49768 1/20 0.75
PSEN2 P49810 1/20 0.75
APH1B Q8WW43 1/20 0.75
NCSTN Q92542 1/20 0.75
APH1A Q96BI3 1/20 0.75
PSENEN Q9NZ42 1/20 0.75
MEN1 O00255 1/20 0.75
KMT2A Q03164 1/20 0.75
CASP7 P55210 3/20 0.55
TP53 P04637 2/20 0.55
MAPK1 P28482 2/20 0.55
BLM P54132 2/20 0.55

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
SCHEMBL18689426 1.00 GPBAR1 (0.75) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL26753694 1.00 GPBAR1 (0.75) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL19417630 0.93 GPBAR1 (0.72) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL9179445 0.93 GPBAR1 (0.72) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL25522595 0.93 GPBAR1 (0.72) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL23008018 0.93 GPBAR1 (0.72) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL28194667 0.93 GPBAR1 (0.72) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL9179441 0.93 GPBAR1 (0.72) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL1358403 0.93 GPBAR1 (0.72) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL28398374 0.92 GPBAR1 (0.71) GPBAR1EPHA2HSD17B10TDP1AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984980-B1 20-ARALKYL-5ALPHA-PREGNANE DERIVATIVES AKZO NOBEL NV (NL) 2002-12-04 EP disclosed
US-6177420-B1 FERTILITY CONTROL AGENTS; SIDE EFFECT REDUCTION AKZO NOBEL N.V. (NL) 2001-01-23 US disclosed
EP-0984980-A1 20-ARALKYL-5$g(a)-PREGNANE DERIVATIVES Akzo Nobel N.V. (NL) 2000-03-15 EP disclosed
WO-1998052965-A1 20-ARALKYL-5α-PREGNANE DERIVATIVES AKZO NOBEL N.V. (NL) 1998-11-26 WO disclosed