SCHEMBL10416005

SCHEMBL10416005

Cn1ccc2cccc(C=CC(=O)O)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
NFKB1 P19838 1/20 0.45
CA4 P22748 1/20 0.45
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PTGER3 P43115 3/20 0.40
PTGER4 P35408 2/20 0.40
PTGER2 P43116 2/20 0.40
TBXA2R P21731 1/20 0.40
PTGFR P43088 1/20 0.40
PTGDR Q13258 1/20 0.40
MAPT P10636 1/20 0.40
PARP1 P09874 1/20 0.39
CMA1 P23946 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL10416002 1.00 CA1 (0.45) CA1CA2NFKB1CA4CCNC
SCHEMBL690926 0.76 CYP2A6 (0.41) CA1CA2HTTKDM4ESMN1; SMN2
SCHEMBL19216677 0.75 MEN1 (0.50) CA1CA2NFKB1CA4CCNC
SCHEMBL2137394 0.74 L3MBTL1 (0.46) CA1CA2HTTKDM4ELMNA
SCHEMBL2137392 0.74 L3MBTL1 (0.46) CA1CA2HTTKDM4ELMNA
SCHEMBL18029054 0.73 ALDH1A1 (0.33) CMA1ALDH1A1
SCHEMBL8746633 0.72 CA1 (0.57) CA1CA2NFKB1CA4HTT
SCHEMBL932002 0.71 NR4A1 (0.46) KDM4ECMA1ALDH1A1
SCHEMBL79668 0.69 HDAC8 (0.67) CA1CA2NFKB1CA4HTT
SCHEMBL2903467 0.69 HDAC8 (0.67) CA1CA2NFKB1CA4HTT

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-4948796-A TREATING CEREBO-VASCULARE DISEASES TOYAMA CHEMICAL CO., LTD. (JP) 1990-08-14 US disclosed