SCHEMBL4733774

SCHEMBL4733774

CC1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@]13C[C@@H](CC[C@@H]12)[C@](O)(CO)C3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 1.00
▸ F10 P00742 6/20 0.59
▸ PTPN1 P18031 3/20 0.53
▸ PTPN2 P17706 1/20 0.52
▸ CDC25B P30305 1/20 0.52
▸ SELP P16109 1/20 0.48
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ POLB P06746 1/20 0.45
▸ CYP2C9 P11712 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HSD11B2 P80365 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 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
SCHEMBL24834667 1.00 HSD11B1 (1.00) HSD11B1F10PTPN1PTPN2CDC25B
SCHEMBL14690730 1.00 HSD11B1 (1.00) HSD11B1F10PTPN1PTPN2CDC25B
SCHEMBL19522314 1.00 HSD11B1 (1.00) HSD11B1F10PTPN1PTPN2CDC25B
SCHEMBL14704498 1.00 HSD11B1 (1.00) HSD11B1F10PTPN1PTPN2CDC25B
SCHEMBL16491619 1.00 HSD11B1 (1.00) HSD11B1F10PTPN1PTPN2CDC25B
SCHEMBL5043912 0.84 HSD11B1 (0.81) HSD11B1F10PTPN1MEN1KMT2A
SCHEMBL5043911 0.84 HSD11B1 (0.81) HSD11B1F10PTPN1MEN1KMT2A
Annosquamosin B SCHEMBL31497491 0.84 HSD11B1 (0.81) HSD11B1F10PTPN1PTPN2CDC25B
SCHEMBL13401529 0.79 SELP (0.66) HSD11B1F10PTPN1PTPN2CDC25B
SCHEMBL16489095 0.79 HSD11B1 (0.68) HSD11B1F10PTPN1PTPN2CDC25B

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-2008060112-A1 COMPOSITION COMPRISING ARALIAE CORDATAE RADIX EXTRACT OR COMPOUNDS ISOLATED FROM THE SAME FOR PREVENTING OR TREATING PERIODONTITIS KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-05-22 — — WO disclosed
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