SCHEMBL8538648

SCHEMBL8538648

CCc1ccccc1C(C(=O)O)C(O)=S

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
SRC P12931 2/20 0.41
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
KMT2A Q03164 1/20 0.36
CLCN2 P51788 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3147481 0.89 SRC (0.46) HTTSRCALDH1A1POLBOPRM1
SCHEMBL8538797 0.88 CYSLTR2 (0.43) SRCCYSLTR2CYSLTR1
SCHEMBL8538406 0.85 GABRA1 (0.42) HTTSRCALDH1A1GAAGABRA1
SCHEMBL8539102 0.79 TSHR (0.50) HTTSRCALDH1A1POLBGAA
SCHEMBL8534617 0.79 GRIK1 (0.36) SRCPOLBCYSLTR2CYSLTR1KMT2A
SCHEMBL8536459 0.78 SRC (0.43) SRCALDH1A1POLBGAALMNA
SCHEMBL6950812 0.78 SRC (0.43) HTTSRCGAAGABRA1GABRB2
SCHEMBL23116476 0.77 GABRA1 (0.41) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL8535827 0.76 BACE1 (0.43) SRC
SCHEMBL5570575 0.76 LMNA (0.48) ALDH1A1POLBOPRM1OPRD1OPRK1

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 disclosed