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SCHEMBL8780294

SCHEMBL8780294

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O[Si](C)(C)C(C)(C)C)C(OC)C3)C(C)C(O[Si](C)(C)C(C)(C)C)CC1=O)C(C)CC2OC

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 18/20 0.79
▸ MEN1 O00255 1/20 0.79
▸ LMNA P02545 1/20 0.79
▸ MAPT P10636 1/20 0.79
▸ KMT2A Q03164 1/20 0.79
▸ THRB P10828 1/20 0.79
▸ FKBP4 Q02790 1/20 0.79
▸ ABCB11 O95342 1/20 0.77
▸ ADORA3 P0DMS8 1/20 0.77
▸ PPP3CA Q08209 3/20 0.72

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
SCHEMBL9109580 0.99 FKBP1A (0.79) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9695858 0.97 FKBP1A (0.85) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL437514 0.97 FKBP1A (0.78) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL439470 0.96 FKBP1A (0.86) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL8780286 0.96 FKBP1A (0.86) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9283149 0.96 FKBP1A (0.81) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9240124 0.96 FKBP1A (0.84) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL8780263 0.96 FKBP1A (0.76) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL437516 0.96 ABCB11 (0.85) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9094374 0.95 FKBP1A (0.85) FKBP1AMEN1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536896-B1 Imidazolidyl macrolides having immunosuppressive activity MERCK & CO INC (US) 1997-12-17 — — EP disclosed
EP-0532088-B1 O-Heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroaryl macrolides MERCK & CO INC (US) 1996-12-04 — — EP disclosed
WO-1995035299-A1 ARYL, ALKYL, ALKENYL AND ALKYNYLMACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1995-12-28 — — WO disclosed
WO-1995034568-A1 ARYL, ALKYL, ALKENYL, AND ALKYNYLMACROLIDES MERCK & CO., INC. (US) 1995-12-21 — — WO disclosed
WO-1995009857-A1 O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1995-04-13 — — WO disclosed
US-5349061-A O-heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroarylmacrolides having immunosuppressive activity MERCK & CO., INC. (US) 1994-09-20 — — US disclosed
US-5252732-A D-heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroarylmacrolides having immunosuppressive activity MERCK & CO., INC. (US) 1993-10-12 — — US disclosed
WO-1993005059-A1 IMIDAZOLIDYL MACROLIDES MERCK & CO., INC. (US) 1993-03-18 — — WO disclosed
WO-1993005058-A1 O-HETEROARYL, O-ALKYLHETEROARYL, O-ALKENYLHETEROARYL AND O-ALKYNYLHETEROARYLMACROLIDES MERCK & CO., INC. (US) 1993-03-18 — — WO disclosed
EP-0532088-A1 O-Heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroaryl macrolides MERCK & CO. INC. (US) 1993-03-17 — — EP disclosed
EP-0532089-A1 N-heteroaryl, N-alkylheteroaryl, N-alkenylheteroaryl & N-alkynylheteroarylmacrolides MERCK & CO. INC. (US) 1993-03-17 — — EP disclosed
EP-0530888-A1 Fluoromacrolides having immunosuppressive activity MERCK & CO. INC. (US) 1993-03-10 — — EP disclosed
EP-0515071-A2 O-aryl, O-alkyl, O-alkenyl and O-alkynylmacrolides having immunosuppressive activity MERCK & CO. INC. (US) 1992-11-25 — — EP disclosed
EP-0480623-A1 New halomacrolides and derivatives having immunosuppressive activity MERCK & CO. INC. (US) 1992-04-15 — — EP disclosed