SCHEMBL14647795

SCHEMBL14647795

CC(=O)OC[C@@H](C)[C@H]1CCC2CCCC[C@@]21C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.48
▸ EPHA2 P29317 2/20 0.48
▸ AKR1B10 O60218 1/20 0.48
▸ AKR1B1 P15121 1/20 0.48
▸ EFNA1 P20827 1/20 0.48
▸ PSEN1 P49768 1/20 0.48
▸ PSEN2 P49810 1/20 0.48
▸ APH1B Q8WW43 1/20 0.48
▸ NCSTN Q92542 1/20 0.48
▸ APH1A Q96BI3 1/20 0.48
▸ PSENEN Q9NZ42 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ NR1H4 Q96RI1 6/20 0.41
▸ DHCR24 Q15392 4/20 0.39
▸ ATP1A1 P05023 1/20 0.37
▸ ATP1B1 P05026 1/20 0.37

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
SCHEMBL3225968 0.84 PTPN1 (0.46) GPBAR1EPHA2AKR1B10AKR1B1EFNA1
SCHEMBL9883783 0.78 CDC25A (0.44) GPBAR1EPHA2AKR1B10AKR1B1EFNA1
SCHEMBL9010567 0.78 CDC25A (0.59) GPBAR1EPHA2AKR1B10AKR1B1EFNA1
SCHEMBL2609727 0.78 CDC25A (0.59) GPBAR1EPHA2AKR1B10AKR1B1EFNA1
SCHEMBL9883785 0.78 CDC25A (0.59) GPBAR1EPHA2AKR1B10AKR1B1EFNA1
SCHEMBL4738790 0.78 GPBAR1 (0.68) GPBAR1EPHA2AKR1B10AKR1B1EFNA1
SCHEMBL6690597 0.76 CDC25A (0.48) GPBAR1EPHA2AKR1B10AKR1B1EFNA1
SCHEMBL8502677 0.76 CDC25A (0.48) GPBAR1EPHA2AKR1B10AKR1B1EFNA1
SCHEMBL14208292 0.76 CDC25A (0.46) DHCR24VDRCDC25A
SCHEMBL5020106 0.76 CDC25A (0.46) DHCR24VDRCDC25A

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-1853274-B1 2-METHYLENE-19-NOR- (20S-24S) - 1ALPHA, 25-DIHYDROXYVITAMINE-D2 WISCONSIN ALUMNI RES FOUND (US) 2013-01-23 — — EP disclosed
Send feedback