SCHEMBL10440459

SCHEMBL10440459

C=C(Cc1sccc1C=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
CYP2A6 P11509 2/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
GLA P06280 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 2/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
HPGDS O60760 1/20 0.31

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
SCHEMBL4055281 0.70 LTB4R (0.40) MAOAMAOBCYP2A6KMT2AMEN1
SCHEMBL6748897 0.70
SCHEMBL18995061 0.67 CYP2A6 (0.36) CYP2A6KMT2AMEN1LMNATDP1
SCHEMBL6964424 0.66
SCHEMBL19222446 0.66 CYP2A6 (0.38) CYP2A6KMT2AMEN1LMNATDP1
SCHEMBL18386521 0.66 CYP2A6 (0.35) CYP2A6KMT2AMEN1LMNATDP1
SCHEMBL31564493 0.65 KDM4E (0.38) KMT2AMEN1ALDH1A1USP2HSD17B10
SCHEMBL18546613 0.64 MAOA (0.47) MAOAMAOBKMT2AMEN1LMNA
SCHEMBL17428932 0.64 CYP2A6 (0.36) CYP2A6KMT2AMEN1LMNATDP1
SCHEMBL2187687 0.64 PTGDR2 (0.66) KMT2AMEN1LMNATDP1ALDH1A1

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
EP-0355710-A2 Phenylalkylthiophenes and related compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1990-02-28 EP disclosed