SCHEMBL8103202

SCHEMBL8103202

CC(C)(C)O[C@H]1CCCC2C[C@@H](O)CC[C@@]21C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1I3 Q14994 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GPBAR1 Q8TDU6 2/20 0.40
▸ SHBG P04278 2/20 0.40
▸ SERPINA6 P08185 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL21340339 0.77 LMNA (0.64) LMNAGPBAR1SHBGSERPINA6CYP1A2
SCHEMBL8229897 0.70 CDC25A (0.38) —
SCHEMBL8107009 0.70 CDC25A (0.38) —
SCHEMBL27461585 0.70 CDC25A (0.38) —
SCHEMBL7145450 0.70 CDC25A (0.38) —
SCHEMBL22275647 0.66 LMNA (0.50) NR1I3LMNAGPBAR1SHBGSERPINA6
SCHEMBL10079366 0.66 LMNA (0.50) NR1I3LMNAGPBAR1SHBGSERPINA6
SCHEMBL15164640 0.66 LMNA (0.46) NR1I3LMNAGPBAR1SHBGSERPINA6
SCHEMBL17471293 0.63 CNR2 (0.33) TSHR
SCHEMBL19253230 0.62 NR1I3 (0.57) NR1I3LMNAGPBAR1SHBGSERPINA6

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
EP-0771789-B1 1 alpha, 26-dihydroxy-D-homo-vitamin D3 HOFFMANN LA ROCHE (CH) 2000-02-16 — — EP disclosed
EP-0771789-A1 1 alpha, 26-dihydroxy-D-homo-vitamin D3 F. HOFFMANN-LA ROCHE AG (CH) 1997-05-07 — — EP disclosed
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