SCHEMBL9618308

SCHEMBL9618308

Cc1cc(-c2c(O)c(=O)c2=O)c2c(C)ccc(C(C)C)cc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.46
TRPA1 O75762 1/20 0.46
CACNA1C Q13936 1/20 0.46
LMNA P02545 1/20 0.43
RNASEH1 O60930 1/20 0.42
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 2/20 0.38
ALOX12 P18054 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
HIF1A Q16665 1/20 0.38
TYR P14679 5/20 0.36
KDM4E B2RXH2 1/20 0.36
MDM4 O15151 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL9660963 0.82 LMNA (0.43) PTGS1TRPA1CACNA1CLMNARNASEH1
SCHEMBL10843605 0.75 LMNA (0.63) PTGS1TRPA1CACNA1CLMNARNASEH1
SCHEMBL12068601 0.71 LMNA (0.48) PTGS1TRPA1CACNA1CLMNARNASEH1
SCHEMBL30701932 0.71 LMNA (0.53) PTGS1TRPA1CACNA1CLMNARNASEH1
SCHEMBL17229430 0.70 LMNA (0.47) PTGS1TRPA1CACNA1CLMNAALDH1A1
SCHEMBL28250769 0.70 LMNA (0.47) PTGS1TRPA1CACNA1CLMNAGAA
SCHEMBL18136096 0.70 RNASEH1 (0.69) PTGS1TRPA1CACNA1CLMNARNASEH1
SCHEMBL6214362 0.70 PTGS1 (0.70) PTGS1TRPA1CACNA1CLMNARNASEH1
Guaiazulene Sulfonic Acid SCHEMBL31632205 0.69 LMNA (0.46) PTGS1TRPA1CACNA1CLMNARNASEH1
Guaiazulene Sulfonic Acid SCHEMBL2734180 0.69 LMNA (0.46) PTGS1TRPA1CACNA1CLMNARNASEH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4296368-A None JP disclosed
US-5169975-A BINARY AZULENESQUARIC ACID DYES, THEIR INTERMEDIATES AND OPTICAL RECORDING MEDIUM BASF AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed
JP-H04296368-A ASYMMETRICAL AZULENESQUARIC ACID DYE AND OPTICAL RECORDING MEDIUM BASF AG 1992-10-20 JP disclosed
EP-0493700-A1 Double azulen squaric acid dyes, their intermediate products as well as optical recording medium BASF Aktiengesellschaft (DE) 1992-07-08 EP disclosed
EP-0492200-A1 Asymmetric azulen squaric acid dyes and optical recording medium BASF Aktiengesellschaft (DE) 1992-07-01 EP disclosed