Sugi Predict

Sugi Predict / Compounds / SCHEMBL1721671

SCHEMBL1721671

SCHEMBL1721671

COC1CC[C@@]2(C)C(CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4CC(C)(C(N)=O)CC[C@]4(C)CC[C@]23C)C1(C)C

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.46
▸ PTPN1 P18031 2/20 0.44
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43

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
SCHEMBL1721265 0.86 PTPN1 (0.58) GPBAR1PTPN1CES2CES1
SCHEMBL420482 0.82 CA9 (0.49) —
SCHEMBL421828 0.80 HSD11B1 (0.55) GPBAR1PTPN1CES2CES1
SCHEMBL419650 0.80 HSD11B1 (0.45) GPBAR1PTPN1
SCHEMBL422954 0.79 HSD11B1 (0.56) —
SCHEMBL418815 0.78 HSD11B1 (0.43) GPBAR1PTPN1
SCHEMBL419086 0.78 HSD11B1 (0.47) —
SCHEMBL420039 0.77 HSD11B1 (0.56) —
SCHEMBL422821 0.77 RORC (0.42) GPBAR1PTPN1CES2CES1
SCHEMBL422801 0.76 PTPN1 (0.45) GPBAR1PTPN1CES2CES1

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-2406272-A1 N-HYDROXY C29-AMIDE DERIVATIVES OF OLEANDRANE onepharm Research & Development GmbH (AT) 2012-01-18 — — EP disclosed