SCHEMBL9108260

SCHEMBL9108260

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OCCNCc4ccccc4)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

nearest known ligand 0.89

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 19/20 0.89
PPP3CA Q08209 2/20 0.89
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

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
SCHEMBL9110569 0.94 FKBP1A (1.00) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9109047 0.93 FKBP1A (1.00) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9110361 0.93 FKBP1A (0.78) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9109845 0.93 FKBP1A (0.91) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9110287 0.93 FKBP1A (0.77) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9573854 0.92 FKBP1A (0.76) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL16907148 0.92 FKBP1A (0.88) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9110110 0.91 FKBP1A (1.00) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9117797 0.91 FKBP1A (0.87) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9109598 0.90 FKBP1A (1.00) FKBP1APPP3CAMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515071-A2 O-aryl, O-alkyl, O-alkenyl and O-alkynylmacrolides having immunosuppressive activity MERCK & CO. INC. (US) 1992-11-25 EP claimed
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
EP-0515071-A2 O-aryl, O-alkyl, O-alkenyl and O-alkynylmacrolides having immunosuppressive activity MERCK & CO. INC. (US) 1992-11-25 EP disclosed