SCHEMBL8921696

SCHEMBL8921696

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)(CCC(O)c4ccc5ccccc5c4)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 18/20 0.80
PPP3CA Q08209 11/20 0.80
MEN1 O00255 1/20 0.70
LMNA P02545 1/20 0.70
MAPT P10636 1/20 0.70
KMT2A Q03164 1/20 0.70
THRB P10828 1/20 0.70
FKBP4 Q02790 1/20 0.70
ABCB11 O95342 1/20 0.68
ADORA3 P0DMS8 1/20 0.68

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
SCHEMBL9117343 0.94 FKBP1A (0.72) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9118228 0.93 FKBP1A (0.71) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9118725 0.93 FKBP1A (0.80) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9118167 0.92 FKBP1A (0.81) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1387267 0.89 FKBP1A (1.00) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL8911603 0.88 FKBP1A (0.81) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL8912947 0.88 FKBP1A (0.75) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9116822 0.87 FKBP1A (0.82) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9117772 0.86 FKBP1A (0.80) FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9119068 0.86 FKBP1A (0.77) 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
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