SCHEMBL8940386

SCHEMBL8940386

CC(=O)C1C=CC(Cl)(c2ccccc2Cl)C=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HDAC4 P56524 2/20 0.36
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTGS2 P35354 1/20 0.33
CACNA1C Q13936 2/20 0.33
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNG3 O60359 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNB3 P54284 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNG7 P62955 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNB1 Q02641 1/20 0.33

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
SCHEMBL809393 0.85 CRHBP (0.50) CRHBPCRHR2HDAC4TSHRMEN1
SCHEMBL7173890 0.74 CRHBP (0.38) CRHBPCRHR2HDAC4PTGS2
SCHEMBL10972198 0.69 CRHBP (0.42) CRHBPCRHR2HDAC4PTGS2CES2
SCHEMBL11527286 0.69 HDAC4 (0.39) CRHBPCRHR2HDAC4
SCHEMBL8109752 0.66 LMNA (0.36) CRHBPCRHR2HDAC4TSHRCACNA1C
1,2-Dichlorobenzene SCHEMBL27801440 0.63 TSHR (0.62) TSHRCES2CES1ALDH1A1LMNA
SCHEMBL10736169 0.62
1,2-Dichlorobenzene SCHEMBL8528441 0.61 TSHR (0.59) TSHRCES2CES1ALDH1A1TP53
1,2-Dichlorobenzene SCHEMBL5147145 0.61 TSHR (0.59) TSHRCES2CES1ALDH1A1LMNA
1,2-Dichlorobenzene SCHEMBL27754908 0.61 TSHR (0.59) TSHRCES2CES1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8048647-A None JP disclosed
JP-H0848647-A PRODUCTION OF INDANONE DERIVATIVE SUMITOMO CHEM CO LTD 1996-02-20 JP disclosed