SCHEMBL9127646

SCHEMBL9127646

C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCC(=O)O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.73
▸ PRKCD Q05655 1/20 0.70
▸ NT5E P21589 3/20 0.67
▸ NR1H4 Q96RI1 1/20 0.65
▸ RORC P51449 3/20 0.65

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
SCHEMBL9350009 0.99 CETP (0.72) CETPPRKCDNT5ENR1H4RORC
SCHEMBL9132841 0.99 CETP (0.72) CETPPRKCDNT5ENR1H4RORC
SCHEMBL9133319 0.99 CETP (0.72) CETPPRKCDNT5ENR1H4RORC
SCHEMBL9129033 0.99 CETP (0.72) CETPPRKCDNT5ENR1H4RORC
SCHEMBL9573072 0.99 CETP (0.72) CETPPRKCDNT5ENR1H4RORC
SCHEMBL9128056 0.99 CETP (0.72) CETPPRKCDNT5ENR1H4RORC
SCHEMBL9129009 0.99 CETP (0.72) CETPPRKCDNT5ENR1H4RORC
SCHEMBL9129016 0.99 CETP (0.72) CETPPRKCDNT5ENR1H4RORC
SCHEMBL9128934 0.99 CETP (0.72) CETPPRKCDNT5ENR1H4RORC
SCHEMBL9128972 0.98 CETP (0.74) CETPPRKCDNT5ENR1H4RORC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5468888-A Lupane derivatives, their preparation and the pharmaceutical compositions which contain them RHONE-POULENC RORER S.A. (FR) 1995-11-21 — — US disclosed
EP-0613483-A1 NEW LUPANE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1994-09-07 — — EP disclosed
WO-1993010142-A1 NEW LUPANE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1993-05-27 — — WO disclosed
EP-0542622-A1 New lupane derivatives, a process for their production and pharmaceutical compositions containing them Aventis Pharma S.A. (FR) 1993-05-19 — — EP disclosed
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