SCHEMBL8534617

SCHEMBL8534617

O=C(O)C(C(O)=S)c1ccccc1CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.36
SRC P12931 1/20 0.35
POLB P06746 2/20 0.34
MGLL Q99685 1/20 0.34
PPM1D O15297 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KMT2A Q03164 1/20 0.32
CCR3 P51677 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
SCHEMBL8538648 0.79 HTT (0.41) SRCPOLBCYSLTR2CYSLTR1KMT2A
SCHEMBL8538406 0.75 GABRA1 (0.42) SRCKMT2A
SCHEMBL8538797 0.75 CYSLTR2 (0.43) SRCCYSLTR2CYSLTR1
SCHEMBL547637 0.72 GRIK1 (0.58) GRIK1PPM1D
SCHEMBL3647579 0.72 GRIK1 (0.58) GRIK1PPM1D
SCHEMBL8535772 0.71 PTGDR2 (0.42) SRCKMT2A
SCHEMBL8540016 0.70 PTGDR2 (0.44) SRCKMT2A
SCHEMBL8539964 0.69 CYP2C9 (0.49) SRC
SCHEMBL6950812 0.68 SRC (0.43) SRCKMT2A
SCHEMBL8536416 0.68 SRC (0.43) SRCKMT2A

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