SCHEMBL7035976

SCHEMBL7035976

ClCc1cccc2oc3ccccc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAOA P21397 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 2/20 0.43
CYP3A4 P08684 1/20 0.43
PGAM1 P18669 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AHR P35869 2/20 0.41
CDC14B O60729 1/20 0.40
CDC14A Q9UNH5 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
EGFR P00533 1/20 0.38

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
SCHEMBL7943748 0.85 MAOA (0.57) ALDH1A1MAOAKDM4EMAPTHPGD
SCHEMBL2954355 0.82 MAOA (0.47) ALDH1A1MAOAKDM4EMAPTHPGD
SCHEMBL754169 0.80 ALDH1A1 (0.43) ALDH1A1MAOAKDM4EMAPTHPGD
SCHEMBL13201404 0.80 ALDH1A1 (0.43) ALDH1A1MAOAKDM4EMAPTHPGD
SCHEMBL19802189 0.80 ALOX5 (0.44) ALDH1A1MAOAKDM4EMAPTHPGD
SCHEMBL9425618 0.80 MAOA (0.48) ALDH1A1MAOAKDM4EMAPTHPGD
SCHEMBL787558 0.78 ALOX5 (0.54) ALDH1A1MAOAKDM4EMAPTHPGD
SCHEMBL24828780 0.77 ADRB2 (0.42) ALDH1A1MAOAKDM4EMAPTHPGD
SCHEMBL8521819 0.77 MAOA (0.41) ALDH1A1MAOAKDM4EMAPTHPGD
SCHEMBL9367327 0.77 MAOA (0.44) ALDH1A1MAOAKDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226134-B1 NAPHTHOPYRANS HAVING A PERFLUOROALKYL SUBSTITUENT IN POSITION 5, PREPARATION AND COMPOSITIONS CONTAINING THEM CORNING SA (FR) 2003-03-05 EP disclosed
EP-1226134-A2 NAPHTHOPYRANS HAVING A PERFLUOROALKYL SUBSTITUENT IN POSITION 5, PREPARATION AND COMPOSITIONS AND MATRICES CONTAINING THEM Corning S.A. (FR) 2002-07-31 EP disclosed
US-6398987-B1 PHOTOCHROMIC; STRONG COLORABILITY; GREY; BROWN; RAPID DISCOLORATION KINETICS; CONTACT LENSES; SOLAR PROTECTION GLASSES; CAMERA OPTICS CORNING S.A. (FR) 2002-06-04 US disclosed
WO-2001036424-A2 NAPHTHOPYRANS HAVING A PERFLUOROALKYL SUBSTITUENT IN POSITION 5, PREPARATION AND COMPOSITIONS AND MATRICES CONTAINING THEM CORNING S.A. (FR) 2001-05-25 WO disclosed