Sugi Predict

Sugi Predict / Compounds / SCHEMBL8917628

SCHEMBL8917628

SCHEMBL8917628

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)(CC=Cc4cc(OC)cc(OC)c4)C(OC)C3)C(C)CCC1=O)C(C)CC2OC

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 18/20 0.72
▸ MEN1 O00255 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ THRB P10828 1/20 0.63
▸ FKBP4 Q02790 1/20 0.63
▸ ABCB11 O95342 1/20 0.61
▸ ADORA3 P0DMS8 1/20 0.61

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
SCHEMBL8915483 0.97 FKBP1A (0.70) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9117689 0.96 FKBP1A (0.70) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9115595 0.95 FKBP1A (0.72) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9116963 0.93 FKBP1A (0.73) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9118719 0.93 FKBP1A (0.73) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL8917303 0.93 FKBP1A (0.69) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9117666 0.92 FKBP1A (0.70) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9115576 0.91 FKBP1A (0.76) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9116143 0.90 FKBP1A (0.78) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9118478 0.90 FKBP1A (0.72) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767791-A1 ARYL, ALKYL, ALKENYL AND ALKYNYLMACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO. INC. (US) 1997-04-16 — — EP claimed
WO-1995035299-A1 ARYL, ALKYL, ALKENYL AND ALKYNYLMACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1995-12-28 — — WO claimed
EP-0767791-A1 ARYL, ALKYL, ALKENYL AND ALKYNYLMACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO. INC. (US) 1997-04-16 — — EP disclosed
WO-1995035299-A1 ARYL, ALKYL, ALKENYL AND ALKYNYLMACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1995-12-28 — — WO disclosed