SCHEMBL7601727

SCHEMBL7601727

CCCCCCCc1ccc(-c2cc3cc(C(=O)O)ccc3o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.61
RARA P10276 2/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
MTOR P42345 1/20 0.61
KMT2A Q03164 1/20 0.61
S1PR1 P21453 2/20 0.54
FFAR1 O14842 2/20 0.48
RARG P13631 1/20 0.48
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTRC Q99895 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
SCHEMBL7528766 0.89 S1PR1 (0.51) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL7561410 0.85 MAPT (0.48) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL7560399 0.85 MAPT (0.48) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL7521960 0.83 S1PR1 (0.50) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL7467122 0.80 MAOB (0.52) S1PR1NPC1RAB9A
SCHEMBL27521215 0.80 FFAR1 (0.51) S1PR1FFAR1
SCHEMBL7917223 0.80 TBXAS1 (0.49) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL7461350 0.79 RARB (0.58) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL29873244 0.78 MAOB (0.53) MEN1ALDH1A1KMT2AS1PR1NPC1
SCHEMBL14832681 0.78 MAOB (0.53) MEN1ALDH1A1KMT2AS1PR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214306-A1 LIQUID CRYSTAL COMPOUNDS Qinetiq Limited (GB) 2002-06-19 EP disclosed
WO-2001021606-A1 LIQUID CRYSTAL COMPOUNDS QINETIQ LIMITED (GB) 2001-03-29 WO disclosed