SCHEMBL28032028

SCHEMBL28032028

CCCCCCCCCCCCCCCCCc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.62
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
RARA P10276 1/20 0.62
MAPT P10636 1/20 0.62
MTOR P42345 1/20 0.62
KMT2A Q03164 1/20 0.62
PTGS2 P35354 3/20 0.55
GPR84 Q9NQS5 2/20 0.55
PLA2G2A P14555 1/20 0.54
KAT8 Q9H7Z6 2/20 0.54
PPARA Q07869 1/20 0.54
CYP3A4 P08684 1/20 0.52

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
SCHEMBL17060014 1.00 RARB (0.62) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL3293447 1.00 RARB (0.62) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL8413501 0.98 RARB (0.61) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL27760653 0.96 RARB (0.62) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL14118049 0.96 RARB (0.62) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL27782228 0.94 GPR84 (0.61) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL914005 0.92 RARB (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL9701286 0.88 RARB (0.59) RARBMEN1ALDH1A1RARAMAPT
Heptane SCHEMBL29220036 0.86 PLA2G2A (0.63) RARBMEN1ALDH1A1RARAMAPT
Hexane SCHEMBL29263834 0.85 PLA2G2A (0.62) RARBMEN1ALDH1A1RARAMAPT

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
CN-104877127-A Eight-armed polyethylene glycol derivative, preparation method and related biological substance modified by derivative XIAMEN SINOPEG BIOTECH CO LTD 2015-09-02 CN disclosed