SCHEMBL5609738

SCHEMBL5609738

CCCCCCCCCCCCCCCCCCC(O)(SCc1cc(C)cc(C)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.37
CNR1 P21554 5/20 0.37
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GPX4 P36969 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL2695933 0.86 ESR1 (0.44) S1PR2S1PR4S1PR1S1PR3NPC1
SCHEMBL6355347 0.84 RXRA (0.41) S1PR2S1PR4S1PR1S1PR3PPARG
SCHEMBL3347786 0.83 GAA (0.43) ALDH1A1PPARGPPARA
SCHEMBL29171804 0.82 GAA (0.40) ALDH1A1TP53
SCHEMBL11550381 0.74 GMNN (0.48) TP53
SCHEMBL1464122 0.71 FDPS (0.44) ALDH1A1TP53PPARGPPARA
SCHEMBL1464175 0.71 FDPS (0.44) ALDH1A1TP53PPARGPPARA
SCHEMBL7779023 0.71 FDPS (0.44) ALDH1A1TP53PPARGPPARA
SCHEMBL22120898 0.67 EPHX2 (0.43) S1PR2S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL7073690 0.66 GAA (0.46) ALDH1A1PAX8

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
US-20070032581-A1 Additive mixtures CIBA CORPORATION 2007-02-08 US disclosed
US-6913712-B2 Stabilizer mixture CIBA SPECIALTY CHEMICALS CORP. (US) 2005-07-05 US disclosed
US-20040204521-A1 Additive functionalized organophilic nano-scaled fillers CIBA SPECIALTY CHEMICALS CORP. 2004-10-14 US disclosed