SCHEMBL11356263

SCHEMBL11356263

C#CC(O)C#CCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TDP1 Q9NUW8 2/20 0.38
GRM5 P41594 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
NPBWR1 P48145 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MCHR1 Q99705 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KEAP1 Q14145 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL11374536 0.90 GRM5 (0.40) TDP1GRM5HTR2ASMN1; SMN2MAOB
SCHEMBL11363439 0.81 TSHR (0.38) FFAR1FFAR4GAATSHRNPBWR1
SCHEMBL16344430 0.78 FFAR1 (0.42) FFAR1FFAR4TDP1GRM5TSHR
SCHEMBL27416779 0.76 FFAR1 (0.41) FFAR1FFAR4TDP1GRM5TSHR
SCHEMBL27416780 0.76 FFAR1 (0.41) FFAR1FFAR4TDP1GRM5TSHR
SCHEMBL9303814 0.73 ALDH1A1 (0.52) FFAR1FFAR4TDP1GRM5ALDH1A1
SCHEMBL11373139 0.70 GRM5 (0.39) FFAR1GRM5KMT2AALDH1A1CA1
SCHEMBL11637785 0.70 LMNA (0.42) ALDH1A1ALOX15CA1CA2KCNH2
SCHEMBL168227 0.70 FFAR1 (0.49) FFAR1FFAR4TDP1GRM5TSHR
SCHEMBL817399 0.69 ANPEP (0.43) TDP1GAATSHRNPBWR1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4263463-A INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-04-21 US disclosed
US-4118505-A INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1978-10-03 US disclosed
US-4003945-A INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-01-18 US disclosed