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SCHEMBL8911759

SCHEMBL8911759

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)(c4ccccc4)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
▸ 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
▸ PPP3CA Q08209 2/20 0.77
▸ ABCB11 O95342 1/20 0.77
▸ ADORA3 P0DMS8 1/20 0.77

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
SCHEMBL8912644 0.94 FKBP1A (0.80) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9118250 0.93 FKBP1A (0.78) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL8911603 0.92 FKBP1A (0.81) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9117374 0.91 FKBP1A (0.84) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9116822 0.90 FKBP1A (0.82) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9117681 0.90 FKBP1A (0.72) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9119068 0.90 FKBP1A (0.77) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL9116803 0.90 FKBP1A (0.81) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL8911977 0.89 FKBP1A (0.82) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL8912947 0.89 FKBP1A (0.75) 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 3 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
EP-0767791-A1 ARYL, ALKYL, ALKENYL AND ALKYNYLMACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO. INC. (US) 1997-04-16 — — EP disclosed
WO-1995035299-A1 ARYL, ALKYL, ALKENYL AND ALKYNYLMACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1995-12-28 — — WO disclosed