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SCHEMBL9112930

SCHEMBL9112930

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OCC=Cc4ccccc4)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 19/20 1.00
▸ PPP3CA Q08209 2/20 0.83
▸ 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

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
SCHEMBL9109103 0.97 FKBP1A (0.95) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9111993 0.97 FKBP1A (0.95) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9709684 0.96 FKBP1A (0.92) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9109564 0.95 FKBP1A (0.92) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9110216 0.95 FKBP1A (1.00) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9111683 0.95 FKBP1A (0.91) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9108254 0.95 FKBP1A (1.00) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9110591 0.95 FKBP1A (0.91) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9111318 0.95 FKBP1A (0.91) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9110219 0.95 FKBP1A (0.90) 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 1 patent. 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