SCHEMBL17243790

SCHEMBL17243790

COc1ccc(OCc2nc([C@@H]3CCCN3C(=O)C(F)(F)C3(O)CC(C)(C)CC(C)(C)C3)n[nH]2)cc1OC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.35
HCRTR1 O43613 3/20 0.34
FKBP4 Q02790 1/20 0.34
FKBP5 Q13451 1/20 0.34
SCD O00767 1/20 0.34
HCRTR2 O43614 2/20 0.33
USP19 O94966 1/20 0.33
CPT1A P50416 3/20 0.32
IDH1 O75874 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
CPT2 P23786 2/20 0.32
CPT1B Q92523 1/20 0.32
MAPT P10636 1/20 0.32
SPHK2 Q9NRA0 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SCD5 Q86SK9 1/20 0.32

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
SCHEMBL17103787 0.87 CCNT1 (0.36) FKBP1AHCRTR1FKBP4FKBP5SCD
SCHEMBL17103786 0.87 CCNT1 (0.36) FKBP1AHCRTR1FKBP4FKBP5SCD
SCHEMBL17103758 0.86 FKBP1A (0.35) FKBP1AHCRTR1FKBP4FKBP5SCD
SCHEMBL17103757 0.86 FKBP1A (0.35) FKBP1AHCRTR1FKBP4FKBP5SCD
SCHEMBL17103778 0.85 FKBP1A (0.35) FKBP1AHCRTR1FKBP4FKBP5SCD
SCHEMBL17103777 0.85 FKBP1A (0.35) FKBP1AHCRTR1FKBP4FKBP5SCD
SCHEMBL3185392 0.85 SCD (0.38) HCRTR1SCDHCRTR2CPT1ACPT1B
SCHEMBL17103775 0.82 SPHK2 (0.42) HCRTR1SCDHCRTR2SPHK2
SCHEMBL17103776 0.82 SPHK2 (0.42) HCRTR1SCDHCRTR2SPHK2
SCHEMBL17103766 0.82 SCD (0.39) FKBP1AHCRTR1FKBP4FKBP5SCD

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
US-9181229-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-9181229-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed