SCHEMBL8780264

SCHEMBL8780264

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OCC=O)C(OC)C3)C(C)CCC1=O)C(C)CC2OC

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 18/20 0.85
MEN1 O00255 1/20 0.74
LMNA P02545 1/20 0.74
MAPT P10636 1/20 0.74
KMT2A Q03164 1/20 0.74
THRB P10828 1/20 0.74
FKBP4 Q02790 1/20 0.74
ABCB11 O95342 1/20 0.72
ADORA3 P0DMS8 1/20 0.72
PPP3CA Q08209 1/20 0.71

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
SCHEMBL8780271 0.95 FKBP1A (0.84) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9110733 0.94 FKBP1A (0.83) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9541036 0.94 FKBP1A (0.77) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9093400 0.93 FKBP1A (0.86) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9110243 0.93 FKBP1A (0.85) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9092905 0.93 FKBP1A (0.83) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9093071 0.93 FKBP1A (0.88) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL8780292 0.92 FKBP1A (0.88) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9695740 0.92 FKBP1A (0.91) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL8780288 0.92 FKBP1A (1.00) 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 10 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-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
EP-0536896-A1 Imidazolidyl macrolides having immunosuppressive activity MERCK & CO. INC. (US) 1993-04-14 EP 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-0515071-A2 O-aryl, O-alkyl, O-alkenyl and O-alkynylmacrolides having immunosuppressive activity MERCK & CO. INC. (US) 1992-11-25 EP disclosed