SCHEMBL28484483

SCHEMBL28484483

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OSBP P22059 3/20 0.52
▸ OSBP2 Q969R2 3/20 0.52
▸ CDC25A P30304 3/20 0.51
▸ CDC25B P30305 2/20 0.51
▸ NPC1L1 Q9UHC9 5/20 0.48
▸ VDR P11473 3/20 0.48
▸ GPR183 P32249 3/20 0.47
▸ CRYAB P02511 1/20 0.47
▸ HMGCR P04035 1/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGAV P06756 1/20 0.47
▸ RORC P51449 1/20 0.47
▸ SREBF2 Q12772 1/20 0.47
▸ NR1H3 Q13133 1/20 0.47

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
SCHEMBL28487113 1.00 OSBP (0.52) OSBPOSBP2CDC25ACDC25BNPC1L1
SCHEMBL27311802 1.00 OSBP (0.52) OSBPOSBP2CDC25ACDC25BNPC1L1
SCHEMBL27303690 0.85 CDC25A (0.66) CDC25ACDC25BNPC1L1
SCHEMBL26324654 0.83 CDC25A (0.74) OSBPOSBP2CDC25ACDC25BNPC1L1
SCHEMBL14107828 0.83 CDC25A (0.74) OSBPOSBP2CDC25ACDC25BNPC1L1
SCHEMBL29067231 0.83 CDC25A (0.74) OSBPOSBP2CDC25ACDC25BNPC1L1
SCHEMBL26322309 0.83 CDC25A (0.74) OSBPOSBP2CDC25ACDC25BNPC1L1
SCHEMBL14371762 0.83 CDC25A (0.74) OSBPOSBP2CDC25ACDC25BNPC1L1
SCHEMBL17888102 0.83 CDC25A (0.74) OSBPOSBP2CDC25ACDC25BNPC1L1
SCHEMBL5070148 0.78 CDC25A (0.54) OSBPOSBP2CDC25ACDC25BNPC1L1

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 2 patents. 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
CN-111830157-A Gas chromatography detection method for synthesizing eldecalcitol intermediate 大连美创药业有限公司 2020-10-27 — — CN disclosed
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