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Sugi Predict / Compounds / SCHEMBL19488376

SCHEMBL19488376

SCHEMBL19488376

CC(C)[C@@H]1CC[C@]2(N)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](c6ccc(C(=O)O)cc6)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 13/20 0.57
▸ PRKCD Q05655 1/20 0.51
▸ NR1H4 Q96RI1 5/20 0.49
▸ SLC10A1 Q14973 1/20 0.46

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
SCHEMBL20993981 1.00 GPBAR1 (0.57) GPBAR1PRKCDNR1H4SLC10A1
SCHEMBL20957465 1.00 GPBAR1 (0.57) GPBAR1PRKCDNR1H4SLC10A1
SCHEMBL12698324 1.00 GPBAR1 (0.57) GPBAR1PRKCDNR1H4SLC10A1
SCHEMBL16256634 0.93 GPBAR1 (0.57) GPBAR1PRKCDNR1H4SLC10A1
SCHEMBL20993980 0.92 GPBAR1 (0.49) GPBAR1PRKCDNR1H4SLC10A1
SCHEMBL20957464 0.91 GPBAR1 (0.59) GPBAR1PRKCDNR1H4
SCHEMBL14672834 0.91 GPBAR1 (0.59) GPBAR1PRKCDNR1H4
SCHEMBL20993895 0.91 GPBAR1 (0.59) GPBAR1PRKCDNR1H4
SCHEMBL20957455 0.91 GPBAR1 (0.59) GPBAR1PRKCDNR1H4
SCHEMBL19487671 0.91 GPBAR1 (0.59) GPBAR1PRKCDNR1H4

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-2670765-B1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 4) LTD (GB) 2017-10-18 — — EP disclosed
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