SCHEMBL9585181

SCHEMBL9585181

C=CCC(O)(Cl)c1ccc(C)o1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7949905 0.77 MAPT (0.39) MAPTTDP1L3MBTL1KDM4EMEN1
SCHEMBL9616922 0.70 MAPT (0.65) MAPTTDP1KDM4EALDH1A1HTT
SCHEMBL2735690 0.66 TDP1 (0.48) MAPTTDP1MEN1ALDH1A1HTT
SCHEMBL22375292 0.63 TDP1 (0.39) MAPTTDP1MEN1KMT2A
SCHEMBL1613694 0.62 ALOX5 (0.30) TDP1
SCHEMBL20176105 0.62 ALDH1A1 (0.39) MAPTTDP1KDM4EMEN1ALDH1A1
SCHEMBL7279170 0.62 MAPT (0.35) MAPTTDP1L3MBTL1KDM4EMEN1
SCHEMBL420157 0.61 TDP1 (0.53) MAPTTDP1L3MBTL1MEN1ALDH1A1
SCHEMBL22838138 0.61 HTR1A (0.37) TDP1
SCHEMBL1614211 0.61 TDP1 (0.40) TDP1

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-5239092-A Process for producing furylpropargylcarbinol and derivative thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-24 US disclosed