Sugi Predict

Sugi Predict / Compounds / SCHEMBL30717675

SCHEMBL30717675

SCHEMBL30717675

CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C/C=C/c2ccc(C(=O)OCCn3ccnc3)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPP3CA Q08209 6/20 0.68
▸ ABCB1 P08183 11/20 0.68
▸ PPIA P62937 5/20 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
▸ ABCB11 O95342 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ POLB P06746 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ MAPT P10636 1/20 0.68
▸ RARB P10826 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ CYP3A5 P20815 1/20 0.68
▸ TACR2 P21452 1/20 0.68
▸ PPIB P23284 1/20 0.68
▸ CYP3A7 P24462 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
SCHEMBL30717749 0.92 PPP3CA (0.66) PPP3CAABCB1PPIAMEN1NPC1
SCHEMBL30717761 0.90 ABCB1 (0.65) PPP3CAABCB1PPIAMEN1NPC1
SCHEMBL30717737 0.90 ABCB1 (0.65) PPP3CAABCB1PPIAMEN1NPC1
SCHEMBL9979647 0.89 PPP3CA (0.80) PPP3CAABCB1PPIAMEN1NPC1
SCHEMBL19680000 0.89 PPP3CA (0.80) PPP3CAABCB1PPIAMEN1NPC1
SCHEMBL21582623 0.88 ABCB1 (0.80) PPP3CAABCB1PPIAMEN1NPC1
SCHEMBL19680002 0.88 ABCB1 (0.80) PPP3CAABCB1PPIAMEN1NPC1
SCHEMBL9979536 0.88 ABCB1 (0.80) PPP3CAABCB1PPIAMEN1NPC1
SCHEMBL30717813 0.87 ABCB1 (0.64) PPP3CAABCB1PPIAMEN1NPC1
SCHEMBL25533217 0.87 ABCB1 (0.77) PPP3CAABCB1PPIAMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543902-A1 CYCLOSPORINE ANALOGUES UCL Business Ltd (GB) 2025-04-30 — — EP disclosed
WO-2023247937-A1 CYCLOSPORINE ANALOGUES UCL BUSINESS LTD (GB) 2023-12-28 — — WO disclosed