SCHEMBL13345778

SCHEMBL13345778

CCC(C)CCCC(C)[C@H]1CCC2C3CC=C4C[C@@H](NC(=O)CCNC(=O)CCCCCNc5ccc([N+](=O)[O-])c6nonc56)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ST6GAL1 P15907 2/20 0.44
▸ ST3GAL1 Q11201 2/20 0.44
▸ ST3GAL3 Q11203 1/20 0.43
▸ NR1H3 Q13133 5/20 0.43
▸ OSBP P22059 3/20 0.43
▸ RORC P51449 2/20 0.43
▸ NPC1L1 Q9UHC9 2/20 0.41
▸ CYP46A1 Q9Y6A2 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ OSBP2 Q969R2 1/20 0.41
▸ DHCR24 Q15392 1/20 0.40
▸ EPHA2 P29317 1/20 0.40
▸ POLA1 P09884 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
SCHEMBL1878894 0.95 CYP46A1 (0.47) ST6GAL1ST3GAL1ST3GAL3NR1H3OSBP
SCHEMBL13311391 0.95 CYP46A1 (0.47) ST6GAL1ST3GAL1ST3GAL3NR1H3OSBP
SCHEMBL1878892 0.95 CYP46A1 (0.47) ST6GAL1ST3GAL1ST3GAL3NR1H3OSBP
SCHEMBL12639020 0.95 CYP46A1 (0.47) ST6GAL1ST3GAL1ST3GAL3NR1H3OSBP
SCHEMBL1881130 0.90 OSBP (0.46) ST6GAL1ST3GAL1ST3GAL3NR1H3OSBP
SCHEMBL1881129 0.90 OSBP (0.46) ST6GAL1ST3GAL1ST3GAL3NR1H3OSBP
SCHEMBL12639010 0.90 OSBP (0.46) ST6GAL1ST3GAL1ST3GAL3NR1H3OSBP
SCHEMBL12639002 0.90 OSBP (0.46) ST6GAL1ST3GAL1ST3GAL3NR1H3OSBP
SCHEMBL13311388 0.90 OSBP (0.46) ST6GAL1ST3GAL1ST3GAL3NR1H3OSBP
SCHEMBL1879721 0.90 OSBP (0.46) ST6GAL1ST3GAL1ST3GAL3NR1H3OSBP

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-2010071772-A2 SYNTHESIS OF 3B-AMINO-5-CHOLESTENE AND RELATED 3B-HALIDES INVOLVING I-STEROID AND RETRO-I-STEROID REARRANGEMENTS THE PENN STATE RESEARCH FOUNDATION (US) 2010-06-24 — — WO disclosed
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