SCHEMBL13301907

SCHEMBL13301907

C=C(C)[C@@H]1CC[C@]2(C=N)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=N)C(C)(COC(C)=O)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.48
▸ LMNA P02545 1/20 0.48
▸ NT5E P21589 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PTGES O14684 2/20 0.47
▸ SLC10A1 Q14973 2/20 0.47
▸ EGLN2 Q96KS0 1/20 0.45
▸ EGLN1 Q9GZT9 1/20 0.45
▸ EGLN3 Q9H6Z9 1/20 0.45
▸ P4HTM Q9NXG6 1/20 0.45
▸ CA9 Q16790 1/20 0.44

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
SCHEMBL13301947 0.93 GPBAR1 (0.48) GPBAR1LMNANT5ESMN1; SMN2PTGES
SCHEMBL13293216 0.88 SLC10A1 (0.51) GPBAR1LMNANT5ESMN1; SMN2PTGES
SCHEMBL13301931 0.87 PTGES (0.61) GPBAR1LMNANT5ESMN1; SMN2PTGES
SCHEMBL13301993 0.81 SLC10A1 (0.70) GPBAR1LMNANT5ESMN1; SMN2PTGES
SCHEMBL13293140 0.81 GPBAR1 (0.60) GPBAR1LMNANT5ESMN1; SMN2PTGES
SCHEMBL13301992 0.80 SLC10A1 (0.64) GPBAR1LMNANT5ESMN1; SMN2PTGES
SCHEMBL13301976 0.80 SLC10A1 (0.57) GPBAR1LMNANT5ESMN1; SMN2SLC10A1
SCHEMBL13293134 0.80 GPBAR1 (0.59) GPBAR1LMNANT5ESMN1; SMN2PTGES
SCHEMBL13164844 0.79 PTGES (0.58) GPBAR1LMNANT5ESMN1; SMN2PTGES
SCHEMBL13293224 0.79 SLC10A1 (0.60) GPBAR1LMNANT5ESMN1; SMN2PTGES

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
WO-2010068668-A1 23-SUBSTITUTED DERIVATIVES OF LUPANE-TYPE PENTACYCLIC TRITERPENOIDS ADVANCED LIFE SCIENCES, INC. (US) 2010-06-17 — — WO disclosed
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