SCHEMBL18133095

SCHEMBL18133095

CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)C12

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 20/20 0.68
▸ PRKCD Q05655 1/20 0.68

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
SCHEMBL16510620 1.00 GPBAR1 (0.68) GPBAR1PRKCD
SCHEMBL9107407 1.00 GPBAR1 (0.68) GPBAR1PRKCD
SCHEMBL20994179 1.00 GPBAR1 (0.68) GPBAR1PRKCD
SCHEMBL9888493 0.94 GPBAR1 (0.60) GPBAR1PRKCD
SCHEMBL14682833 0.94 GPBAR1 (0.67) GPBAR1PRKCD
SCHEMBL16511851 0.93 GPBAR1 (0.59) GPBAR1PRKCD
SCHEMBL9891291 0.92 GPBAR1 (0.69) GPBAR1PRKCD
SCHEMBL17791357 0.92 GPBAR1 (0.69) GPBAR1PRKCD
SCHEMBL20957467 0.92 GPBAR1 (0.64) GPBAR1PRKCD
SCHEMBL17794080 0.92 GPBAR1 (0.64) GPBAR1PRKCD

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-2576585-B1 MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-12 — — EP disclosed
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