SCHEMBL9109914

SCHEMBL9109914

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OCc4ccc(C(=O)O)cc4)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

nearest known ligand 0.90

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 18/20 0.90
PPP3CA Q08209 2/20 0.81
MEN1 O00255 1/20 0.80
LMNA P02545 1/20 0.80
MAPT P10636 1/20 0.80
KMT2A Q03164 1/20 0.80
THRB P10828 1/20 0.80
FKBP4 Q02790 1/20 0.80
ABCB11 O95342 1/20 0.78
ADORA3 P0DMS8 1/20 0.78

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
SCHEMBL9109915 0.94 FKBP1A (0.89) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9238327 0.93 FKBP1A (0.78) FKBP1APPP3CAMEN1LMNAMAPT
Ascomycin SCHEMBL9202199 0.92 FKBP1A (0.89) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9110898 0.92 FKBP1A (1.00) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9111512 0.91 FKBP1A (0.88) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9110110 0.91 FKBP1A (1.00) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9111146 0.91 FKBP1A (0.87) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9111711 0.91 FKBP1A (0.86) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9110976 0.91 FKBP1A (0.84) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9108014 0.90 FKBP1A (0.89) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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