SCHEMBL9709832

SCHEMBL9709832

C=CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(N)C(OCC=Cc4ccc(O)cc4)C3)C(C)CCC1=O)C(C)CC2OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 18/20 0.72
FKBP4 Q02790 2/20 0.66
ABCB11 O95342 2/20 0.66
ADORA3 P0DMS8 2/20 0.66
MLNR O43193 1/20 0.66
NR1I2 O75469 1/20 0.66
CYP3A4 P08684 1/20 0.66
ADRA2A P08913 1/20 0.66
ADRB3 P13945 1/20 0.66
CYP3A5 P20815 1/20 0.66
TBXA2R P21731 1/20 0.66
CYP3A7 P24462 1/20 0.66
HTR2A P28223 1/20 0.66
HTR2B P41595 1/20 0.66
MTOR P42345 1/20 0.66
FKBP1B P68106 1/20 0.66
SLC6A3 Q01959 1/20 0.66
PPP3CA Q08209 1/20 0.66
FKBP5 Q13451 1/20 0.66
SCN5A Q14524 1/20 0.66

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
SCHEMBL9709656 0.95 FKBP1A (0.80) FKBP1AFKBP4ABCB11ADORA3MEN1
SCHEMBL9709990 0.93 FKBP1A (0.83) FKBP1AFKBP4ABCB11ADORA3MLNR
SCHEMBL9573996 0.93 FKBP1A (0.62) FKBP1AFKBP4ABCB11ADORA3MLNR
SCHEMBL9111862 0.91 FKBP1A (0.87) FKBP1AFKBP4PPP3CAMEN1LMNA
SCHEMBL9709810 0.91 FKBP1A (0.74) FKBP1AFKBP4ABCB11ADORA3MEN1
SCHEMBL9709641 0.91 FKBP1A (0.74) FKBP1AFKBP4ABCB11ADORA3MEN1
SCHEMBL9709701 0.90 FKBP1A (0.80) FKBP1AFKBP4PPP3CAMEN1LMNA
SCHEMBL9710044 0.89 FKBP1A (0.83) FKBP1AFKBP4ABCB11ADORA3MLNR
SCHEMBL9709826 0.89 FKBP1A (0.81) FKBP1AFKBP4ABCB11ADORA3MLNR
SCHEMBL9710010 0.88 FKBP1A (0.92) FKBP1AFKBP4ABCB11ADORA3MEN1

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-1992020688-A1 AMINO O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL MACROLIDES MERCK & CO., INC. (US) 1992-11-26 WO claimed
WO-1992020688-A1 AMINO O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL MACROLIDES MERCK & CO., INC. (US) 1992-11-26 WO disclosed