Sugi Predict

Sugi Predict / Compounds / SCHEMBL19861430

SCHEMBL19861430

SCHEMBL19861430

C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](CSCCN(CC)CC)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CCC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 20/20 0.73
▸ SLCO1B1 Q9Y6L6 5/20 0.69
▸ ABCB11 O95342 2/20 0.69
▸ ABCB1 P08183 2/20 0.69
▸ ABCC2 Q92887 2/20 0.69
▸ SLCO1B3 Q9NPD5 2/20 0.69
▸ PPIB P23284 13/20 0.69
▸ CYP3A4 P08684 2/20 0.68
▸ CYP2C9 P11712 2/20 0.68
▸ PPIF P30405 2/20 0.68
▸ CYP2C19 P33261 2/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ NPC1 O15118 1/20 0.68
▸ ABCC3 O15438 1/20 0.68
▸ GMNN O75496 1/20 0.68
▸ USP2 O75604 1/20 0.68
▸ SLCO2B1 O94956 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ POLB P06746 1/20 0.68
▸ MAPT P10636 1/20 0.68

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
SCHEMBL20076103 0.99 PPIA (0.72) PPIASLCO1B1ABCB11ABCB1ABCC2
SCHEMBL15182917 0.96 PPIA (0.78) PPIASLCO1B1ABCB11ABCB1ABCC2
SCHEMBL1708944 0.96 PPIA (0.78) PPIASLCO1B1ABCB11ABCB1ABCC2
SCHEMBL16546031 0.96 PPIA (0.78) PPIASLCO1B1ABCB11ABCB1ABCC2
SCHEMBL15182919 0.96 PPIA (0.78) PPIASLCO1B1ABCB11ABCB1ABCC2
SCHEMBL19861427 0.96 PPIA (0.77) PPIASLCO1B1ABCB11ABCB1ABCC2
SCHEMBL15183399 0.96 PPIA (0.77) PPIASLCO1B1ABCB11ABCB1ABCC2
SCHEMBL19861453 0.95 PPIA (0.73) PPIASLCO1B1ABCB11ABCB1ABCC2
SCHEMBL19861226 0.95 PPIA (0.81) PPIASLCO1B1ABCB11ABCB1ABCC2
SCHEMBL15183393 0.94 PPIA (0.74) PPIASLCO1B1ABCB11ABCB1ABCC2

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
US-9890198-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2018-02-13 — — US disclosed