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Sugi Predict / Compounds / SCHEMBL19861268

SCHEMBL19861268

SCHEMBL19861268

C/C=C/C[C@@H](C)C[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](CO)C(=O)N(C)[C@@H](CC(C)(C)O)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 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 19/20 0.79
▸ ABCB1 P08183 3/20 0.68
▸ PPIB P23284 10/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ CYP2C9 P11712 2/20 0.65
▸ PPIF P30405 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ SLCO1B1 Q9Y6L6 3/20 0.63
▸ ABCB11 O95342 2/20 0.63
▸ ABCC2 Q92887 2/20 0.63
▸ SLCO1B3 Q9NPD5 2/20 0.63
▸ MEN1 O00255 1/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ ABCC3 O15438 1/20 0.59
▸ GMNN O75496 1/20 0.59
▸ USP2 O75604 1/20 0.59
▸ SLCO2B1 O94956 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ MAPT P10636 1/20 0.59

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
SCHEMBL19861394 0.95 ABCB1 (0.75) PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL20076040 0.95 ABCB1 (0.75) PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL19861231 0.93 PPIA (0.69) PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL19861118 0.93 PPIA (0.69) PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL19861129 0.92 PPIA (0.68) PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL19861223 0.92 PPIA (0.92) PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL19861125 0.92 PPIA (0.92) PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL20076343 0.92 PPIA (0.70) PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL19861230 0.92 ABCB1 (0.81) PPIAABCB1PPIBCYP3A4CYP2C9
SCHEMBL19861250 0.91 PPIA (0.93) PPIAABCB1PPIBCYP3A4CYP2C9

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