SCHEMBL8764965

SCHEMBL8764965

[O]c1ccccc1OCC(Cl)CCl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
CYP1A2 P05177 5/20 0.32
CYP2C19 P33261 2/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.32
AGTR1 P30556 1/20 0.32
RAB9A P51151 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SCN4A P35499 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8764973 0.78 GAA (0.52) GAALMNARAB9ASMN1; SMN2HPGD
SCHEMBL7049447 0.76 ALDH1A1 (0.35) GAATDP1KDM4ELMNARAB9A
SCHEMBL842535 0.75 HTR2C (0.44) ALOX15CYP1A2GAAKDM4ELMNA
SCHEMBL3658983 0.72 ALDH1A1 (0.42) CYP1A2CYP2C19GAATDP1KDM4E
SCHEMBL11607317 0.72 ALDH1A1 (0.42) CYP1A2CYP2C19GAATDP1KDM4E
SCHEMBL3030980 0.69 AR (0.35) CYP1A2LMNAHTTSMN1; SMN2SCN4A
SCHEMBL55705 0.69 ALDH1A1 (0.37) GAAKDM4ELMNARAB9AKMT2A
SCHEMBL482954 0.69 ALDH1A1 (0.58) CYP1A2CYP2C19GAATDP1KDM4E
Oxalic Acid SCHEMBL31544231 0.67 ALDH1A1 (0.48) TDP1KDM4ERAB9AMEN1KMT2A
Oxalic Acid SCHEMBL18197498 0.67 ALDH1A1 (0.48) TDP1KDM4ERAB9AMEN1KMT2A

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
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed