SCHEMBL8422352

SCHEMBL8422352

CCCC(=O)N(C)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL8420326 0.88 TSHR (0.43) TSHRALDH1A1HSD17B10GAAKMT2A
SCHEMBL8421330 0.86 SMN1; SMN2 (0.46) TSHRALDH1A1HSD17B10GAAKMT2A
SCHEMBL30000915 0.82 ALDH1A1 (0.44) TSHRALDH1A1GAAKMT2AMEN1
SCHEMBL8424504 0.82 PTGDR2 (0.42) TSHRALDH1A1GAAKMT2AMEN1
SCHEMBL9279878 0.81 PTGDR2 (0.41) TSHRALDH1A1GAAKMT2AMEN1
SCHEMBL18749585 0.81 MRGPRX4 (0.45) TSHRKDM4EKMT2AMEN1LMNA
SCHEMBL8519544 0.81 PTGDR2 (0.38) TSHRALDH1A1KMT2AMEN1PTGDR2
SCHEMBL18749686 0.78 PTGDR2 (0.39) TSHRALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL896797 0.78 SMN1; SMN2 (0.40) TSHRALDH1A1GAAKMT2AMEN1
SCHEMBL8399059 0.78 SMN1; SMN2 (0.40) TSHRALDH1A1GAAKMT2AMEN1

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-5948819-A α-substituted phenylacetic acid derivative, its production and agricultural fungicide containing it SHIONOGI & CO., LTD (JP) 1999-09-07 US disclosed