Sugi Predict

Sugi Predict / Compounds / SCHEMBL8780288

SCHEMBL8780288

SCHEMBL8780288

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 18/20 1.00
▸ FKBP4 Q02790 2/20 0.87
▸ MEN1 O00255 1/20 0.87
▸ LMNA P02545 1/20 0.87
▸ MAPT P10636 1/20 0.87
▸ KMT2A Q03164 1/20 0.87
▸ THRB P10828 1/20 0.87
▸ ABCB11 O95342 2/20 0.78
▸ ADORA3 P0DMS8 2/20 0.78
▸ MLNR O43193 1/20 0.77
▸ NR1I2 O75469 1/20 0.77
▸ CYP3A4 P08684 1/20 0.77
▸ ADRA2A P08913 1/20 0.77
▸ ADRB3 P13945 1/20 0.77
▸ CYP3A5 P20815 1/20 0.77
▸ TBXA2R P21731 1/20 0.77
▸ CYP3A7 P24462 1/20 0.77
▸ HTR2A P28223 1/20 0.77
▸ HTR2B P41595 1/20 0.77
▸ MTOR P42345 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
SCHEMBL14389791 1.00 FKBP1A (1.00) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL9093101 0.96 FKBP1A (0.93) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL9110515 0.96 FKBP1A (0.91) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL9110950 0.96 FKBP1A (0.91) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL9229563 0.95 FKBP1A (0.91) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL9229567 0.95 FKBP1A (0.91) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL9229570 0.95 FKBP1A (0.91) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL9695740 0.95 FKBP1A (0.91) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL16907238 0.95 FKBP1A (0.90) FKBP1AFKBP4MEN1LMNAMAPT
SCHEMBL9093672 0.94 FKBP1A (0.90) FKBP1AFKBP4MEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536896-B1 Imidazolidyl macrolides having immunosuppressive activity MERCK & CO INC (US) 1997-12-17 — — EP disclosed
EP-0532088-B1 O-Heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroaryl macrolides MERCK & CO INC (US) 1996-12-04 — — EP disclosed
WO-1995035299-A1 ARYL, ALKYL, ALKENYL AND ALKYNYLMACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1995-12-28 — — WO disclosed
WO-1995034568-A1 ARYL, ALKYL, ALKENYL, AND ALKYNYLMACROLIDES MERCK & CO., INC. (US) 1995-12-21 — — WO disclosed
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
US-5349061-A O-heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroarylmacrolides having immunosuppressive activity MERCK & CO., INC. (US) 1994-09-20 — — US disclosed
US-5252732-A D-heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroarylmacrolides having immunosuppressive activity MERCK & CO., INC. (US) 1993-10-12 — — US disclosed
WO-1993005058-A1 O-HETEROARYL, O-ALKYLHETEROARYL, O-ALKENYLHETEROARYL AND O-ALKYNYLHETEROARYLMACROLIDES MERCK & CO., INC. (US) 1993-03-18 — — WO disclosed
WO-1993005059-A1 IMIDAZOLIDYL MACROLIDES MERCK & CO., INC. (US) 1993-03-18 — — WO disclosed
EP-0532088-A1 O-Heteroaryl, O-alkylheteroaryl, O-alkenylheteroaryl and O-alkynylheteroaryl macrolides MERCK & CO. INC. (US) 1993-03-17 — — EP disclosed
EP-0480623-A1 New halomacrolides and derivatives having immunosuppressive activity MERCK & CO. INC. (US) 1992-04-15 — — EP disclosed
EP-0463690-A1 Antagonists of immunosuppressive macrolides MERCK & CO. INC. (US) 1992-01-02 — — EP disclosed