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Sugi Predict / Compounds / SCHEMBL2638871

SCHEMBL2638871

SCHEMBL2638871

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](OC(=O)CC[C@@H](C)[C@H]5CCC6C7C(CC[C@@]65C)[C@@]5(C)CC[C@@H](O)CC5C[C@H]7O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.74
▸ NR1H4 Q96RI1 3/20 0.74
▸ TDP1 Q9NUW8 3/20 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 2/20 0.74
▸ CYP3A4 P08684 2/20 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
▸ ENPP2 Q13822 1/20 0.74
▸ SLC10A1 Q14973 1/20 0.74
▸ CISD1 Q9NZ45 1/20 0.74
▸ CASP7 P55210 3/20 0.73
▸ TP53 P04637 2/20 0.73
▸ MAPK1 P28482 2/20 0.73
▸ HSD17B10 Q99714 2/20 0.73

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
SCHEMBL517850 1.00 GPBAR1 (0.74) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL4532588 0.95 GPBAR1 (0.82) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL1551522 0.95 GPBAR1 (0.82) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL23222858 0.95 GPBAR1 (0.82) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL10717974 0.95 GPBAR1 (0.82) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL1653753 0.94 VDR (0.82) GPBAR1NR1H4TDP1LMNACYP3A4
SCHEMBL7546767 0.93 GPBAR1 (0.71) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL2369521 0.93 GPBAR1 (0.71) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL2467588 0.93 GPBAR1 (0.72) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL246889 0.93 GPBAR1 (0.71) GPBAR1NR1H4TDP1MEN1KMT2A

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
EP-2861259-A1 ANTI-PSMA ANTIBODIES CONJUGATED TO NUCLEAR RECEPTOR LIGAND POLYPEPTIDES Ambrx, Inc. (US) 2015-04-22 — — EP disclosed
WO-2013188740-A1 ANTI-PSMA ANTIBODIES CONJUGATED TO NUCLEAR RECEPTOR LIGAND POLYPEPTIDES AMBRX, INC. (US) 2013-12-19 — — WO disclosed
EP-2569000-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING NUCLEAR HORMONE RECEPTOR ACTIVITY Indiana University Research and Technology Corporation (US) 2013-03-20 — — EP disclosed
WO-2011143209-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING NUCLEAR HORMONE RECEPTOR ACTIVITY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2011-11-17 — — WO disclosed