SCHEMBL9116963

SCHEMBL9116963

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)C(O)CC1=O)C(C)CC2OC

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 18/20 0.73
MEN1 O00255 1/20 0.73
LMNA P02545 1/20 0.73
MAPT P10636 1/20 0.73
KMT2A Q03164 1/20 0.73
THRB P10828 1/20 0.73
FKBP4 Q02790 1/20 0.73
ABCB11 O95342 1/20 0.71
ADORA3 P0DMS8 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
SCHEMBL9118478 0.97 FKBP1A (0.72) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL8919275 0.96 FKBP1A (0.73) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL8920463 0.95 FKBP1A (0.74) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9119327 0.95 FKBP1A (0.74) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL8917628 0.93 FKBP1A (0.72) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9116803 0.93 FKBP1A (0.81) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9116059 0.93 FKBP1A (0.72) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9115582 0.92 FKBP1A (0.73) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9118103 0.92 FKBP1A (0.73) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9118656 0.91 FKBP1A (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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