SCHEMBL7722702

SCHEMBL7722702

CCCc1ccc(-c2cc(C(=O)O)ccc2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.59
MCL1 Q07820 1/20 0.56
RARA P10276 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
MTOR P42345 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FOLH1 Q04609 1/20 0.49
RARG P13631 1/20 0.48
PTPN11 Q06124 1/20 0.47
MPL P40238 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL29004328 0.91 RARB (0.68) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL27595236 0.89 RARB (0.76) RARBRARAMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9224572 0.86 RARB (0.73) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL2744279 0.85 RARB (0.63) RARBMCL1RARAMEN1ALDH1A1
SCHEMBL7239666 0.84 MCL1 (0.47) RARBMCL1RARAMEN1ALDH1A1
SCHEMBL7239672 0.84 MCL1 (0.47) RARBMCL1RARAMEN1ALDH1A1
SCHEMBL6225855 0.83 KDM4E (0.50) MAPTTP53FOLH1PTPN11L3MBTL1
SCHEMBL9842588 0.82 RARB (0.63) RARBMCL1RARAMEN1ALDH1A1
SCHEMBL599317 0.82 FOLH1 (0.53) TP53FOLH1PTPN11
SCHEMBL9509918 0.81 METAP2 (0.53) MCL1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed