SCHEMBL13620608

SCHEMBL13620608

Cc1c#cc(C(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SRD5A2 P31213 1/20 0.32
DAO P14920 1/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALOX15 P16050 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TPMT P51580 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CSNK2A1 P68400 1/20 0.30

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
SCHEMBL16442455 0.84 TSHR (0.42) ALDH1A1SMN1; SMN2SRD5A2DAOTSHR
SCHEMBL16267153 0.65 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2SRD5A2KDM4ETPMT
SCHEMBL8647171 0.64 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2SRD5A2DAOTSHR
SCHEMBL333948 0.64 KDM4E (0.33) ALDH1A1SMN1; SMN2SRD5A2DAOTSHR
SCHEMBL1869090 0.60 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2SRD5A2DAOTSHR
SCHEMBL8418372 0.56 TSHR (0.35) ALDH1A1SMN1; SMN2SRD5A2DAOTSHR
SCHEMBL23796958 0.56 KDM4E (0.44) ALDH1A1TSHRKDM4EALOX15ACMSD
SCHEMBL5052149 0.55 TPMT (0.56) ALDH1A1SMN1; SMN2SRD5A2DAOTSHR
SCHEMBL3392120 0.55 TDP1 (0.48) ALDH1A1SMN1; SMN2TSHRTP53KDM4E
SCHEMBL31389208 0.55 CYP1A2 (0.58) ALDH1A1SMN1; SMN2TSHRKDM4EALOX15

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
EP-2756062-B1 FLUID FABRIC ENHANCER COMPOSITIONS PROCTER & GAMBLE (US) 2017-07-26 EP disclosed
WO-2009137322-A2 PROCESSES FOR THE PREPARATION OF BIPHENYL COMPOUNDS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-11-12 WO disclosed