SCHEMBL9760600

SCHEMBL9760600

C[C@H](C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 12/20 1.00
▸ NR1H4 Q96RI1 5/20 1.00
▸ NR3C1 P04150 1/20 0.74
▸ MEN1 O00255 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ ABCB11 O95342 2/20 0.74
▸ SLC10A2 Q12908 2/20 0.74
▸ LMNA P02545 1/20 0.74
▸ CYP2C19 P33261 1/20 0.74
▸ CHRM2 P08172 1/20 0.74
▸ ADRA2A P08913 1/20 0.74
▸ ADRA1A P35348 1/20 0.74
▸ TDP1 Q9NUW8 1/20 0.74
▸ ENPP2 Q13822 1/20 0.74
▸ SLC10A1 Q14973 1/20 0.74
▸ CISD1 Q9NZ45 1/20 0.74
▸ CYP3A4 P08684 1/20 0.74

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
SCHEMBL592933 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL10123477 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL9760793 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL5525191 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL593794 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL24712916 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL9759995 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL19116123 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL10109673 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL5522889 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4981983-A Derivatives of biliary acids, process for the production thereof and corresponding pharmaceutical compositions GIPHARMEX S.P.A. (IT) 1991-01-01 — — US disclosed
EP-0135782-B1 NEW DERIVATIVES OF BILIARY ACIDS, PROCESS FOR THE PRODUCTION THEREOF AND CORRESPONDING PHARMACEUTICAL COMPOSITIONS GIULIANI S.p.A. (IT) 1990-02-28 — — EP disclosed
US-4892868-A Derivatives of biliary acids, process for the production thereof and corresponding pharmaceutical compositions GIPHARMEX, S.P.A. (IT) 1990-01-09 — — US disclosed
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