SCHEMBL8534778

SCHEMBL8534778

CC(C)c1ccc(C(C)C)c(C(C(=O)O)C(O)=S)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.44
FABP4 P15090 2/20 0.44
EIF4A3 P38919 2/20 0.36
FABP5 Q01469 1/20 0.36
CYP2C9 P11712 2/20 0.35
HIF1A Q16665 2/20 0.35
CYP2D6 P10635 1/20 0.35
RNASEH1 O60930 1/20 0.35
SRC P12931 1/20 0.34
HTT P42858 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
TYR P14679 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34

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
SCHEMBL8540436 0.83 LMNA (0.46) SRCTRPA1KDM4EALDH1A1
SCHEMBL6950812 0.79 SRC (0.43) HIF1ASRCHTTGABRA1GABRB2
SCHEMBL29630154 0.73 LMNA (0.46) FABP3FABP4FABP5HIF1ARNASEH1
SCHEMBL778017 0.73 LMNA (0.46) FABP3FABP4FABP5HIF1ARNASEH1
SCHEMBL11477884 0.72 BLM (0.49) FABP3FABP4FABP5CYP2C9HIF1A
SCHEMBL11438524 0.72 BLM (0.49) FABP3FABP4FABP5CYP2C9HIF1A
SCHEMBL9494308 0.69 SRC (0.61) CYP2C9HIF1ACYP2D6SRCHTT
SCHEMBL3307626 0.69 FABP3 (0.57) FABP3FABP4EIF4A3FABP5CYP2C9
SCHEMBL17707907 0.69 FABP3 (0.52) FABP3FABP4EIF4A3CYP2C9CYP2D6
SCHEMBL20368240 0.69 HIF1A (0.45) FABP3FABP4FABP5HIF1ARNASEH1

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-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed