SCHEMBL29406465

SCHEMBL29406465

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2CCCC[C@]21C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OSBP P22059 1/20 0.55
▸ OSBP2 Q969R2 1/20 0.55
▸ VDR P11473 8/20 0.53
▸ MAPT P10636 2/20 0.48
▸ SREBF1 P36956 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ AKR1B10 O60218 1/20 0.48
▸ AKR1B1 P15121 1/20 0.48
▸ EFNA1 P20827 1/20 0.48
▸ EPHA2 P29317 1/20 0.48
▸ PSEN1 P49768 1/20 0.48
▸ PSEN2 P49810 1/20 0.48
▸ GPBAR1 Q8TDU6 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

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
SCHEMBL29402650 1.00 OSBP (0.55) OSBPOSBP2VDRMAPTSREBF1
SCHEMBL28479084 1.00 OSBP (0.55) OSBPOSBP2VDRMAPTSREBF1
SCHEMBL11785013 0.87 OSBP (0.75) OSBPOSBP2VDRAKR1B10AKR1B1
SCHEMBL11524136 0.87 OSBP (0.75) OSBPOSBP2VDRAKR1B10AKR1B1
SCHEMBL28731645 0.87 OSBP (0.75) OSBPOSBP2VDRAKR1B10AKR1B1
SCHEMBL11571094 0.87 OSBP (0.75) OSBPOSBP2VDRAKR1B10AKR1B1
SCHEMBL15536787 0.84 VDR (0.48) OSBPOSBP2VDRMAPTSREBF1
SCHEMBL15536784 0.84 VDR (0.48) OSBPOSBP2VDRMAPTSREBF1
SCHEMBL30364762 0.82 CDC25A (0.59) AKR1B10AKR1B1EFNA1EPHA2PSEN1
SCHEMBL11496955 0.79 GPBAR1 (0.70) OSBPOSBP2GPBAR1MEN1LMNA

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
CN-111830157-B Gas chromatography detection method for synthesizing eldecalcitol intermediate 大连美创药业有限公司 2022-02-25 — — CN disclosed
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