SCHEMBL8415759

SCHEMBL8415759

Cc1ccc(COC(=O)c2ccccc2OCc2ccc(C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 2/20 0.57
PARP1 P09874 1/20 0.56
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
PTGER1 P34995 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49

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
SCHEMBL9574717 0.89 HTT (0.73) HTTKMT2ASMN1; SMN2ALDH1A1PARP1
SCHEMBL4415350 0.87 HTT (0.75) HTTKMT2ASMN1; SMN2ALDH1A1PARP1
SCHEMBL5680244 0.87 HTT (0.55) HTTKMT2ASMN1; SMN2ALDH1A1PARP1
SCHEMBL5839101 0.84 ALDH1A1 (0.59) HTTKMT2ASMN1; SMN2ALDH1A1PARP1
SCHEMBL8425730 0.84 HTT (0.56) HTTKMT2ASMN1; SMN2ALDH1A1PARP1
SCHEMBL340937 0.83 HTT (0.69) HTTKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL5296788 0.83 KMT2A (0.58) HTTKMT2ASMN1; SMN2ALDH1A1PARP1
SCHEMBL31538458 0.83 ALDH1A1 (0.56) HTTKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1646770 0.82 LRRK2 (0.56) HTTKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL21791006 0.81 ALDH1A1 (0.78) HTTKMT2AALDH1A1KDM4ENPSR1

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-5880064-A COMPRISING A SOLVENT FREE OF AN UMPLEASANT ODOR AND FRIENDLY TO THE ENVIRONMENT MITSUBISHI PAPER MILLS LTD. (JP) 1999-03-09 US disclosed