SCHEMBL8503479

SCHEMBL8503479

CCCCCCCOc1ccc(C(C)(OC(=O)CCCC)C(=O)OCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLA2G4B P0C869 3/20 0.45
NR5A1 Q13285 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RARB P10826 3/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43

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
SCHEMBL8503494 0.98 MAPT (0.49) MAPTTP53TSHRSMN1; SMN2PLA2G4B
SCHEMBL12000272 0.76 MAPK1 (0.50) TP53TSHRSMN1; SMN2PLA2G4B
SCHEMBL9475743 0.76 TP53 (0.51) TP53TSHRSMN1; SMN2PLA2G4BNR5A1
SCHEMBL9475612 0.76 TP53 (0.51) TP53TSHRSMN1; SMN2PLA2G4BNR5A1
SCHEMBL13439692 0.76 LTA4H (0.50) MAPTSMN1; SMN2
SCHEMBL9016858 0.73 NR5A1 (0.61) MAPTTP53TSHRSMN1; SMN2PLA2G4B
SCHEMBL10013798 0.73 NR5A1 (0.61) MAPTTP53TSHRSMN1; SMN2PLA2G4B
SCHEMBL13227405 0.73 NR5A1 (0.61) MAPTTP53TSHRSMN1; SMN2PLA2G4B
SCHEMBL13612295 0.72 DGKA (0.59) TP53TSHRPLA2G4BNR5A1L3MBTL1
SCHEMBL13572570 0.72 DGKA (0.54) MAPTTP53TSHRPLA2G4BNR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5948820-A IMMUNOSUPPRESSANT; PREVENT REJECTION OF ORGAN TRANSPLANT;AUTOIMMUNE DISEASES; MULTIPLE SCLEROSIS; LUPUS; ANTIALLERGENS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-07 US disclosed