SCHEMBL30889348

SCHEMBL30889348

CCCCCCCCc1cc(CCCCCCCC)c(CCCCCCCC)o1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ELANE P08246 3/20 0.42
ALOX5 P09917 5/20 0.42
ALOX15 P16050 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TYR P14679 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
PTGS2 P35354 6/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
PTGS1 P23219 1/20 0.37

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
SCHEMBL30889343 1.00 MAPT (0.45) MAPTELANEALOX5ALOX15MEN1
SCHEMBL29958550 1.00 MAPT (0.45) MAPTELANEALOX5ALOX15MEN1
SCHEMBL30889347 0.98 MAPT (0.42) MAPTELANEALOX5ALOX15MEN1
SCHEMBL30889342 0.92 TLR8 (0.40) MAPTELANEALOX15MEN1TYR
SCHEMBL30318954 0.82 HCAR2 (0.38) MAPTELANEALOX5ALOX15MEN1
SCHEMBL27794737 0.75 PPARA (0.48) MAPTELANEALOX15HCAR2
SCHEMBL27782222 0.73 TDP1 (0.50) MAPTMEN1KMT2ATDP1
SCHEMBL9581030 0.72 ALOX5 (0.46) MAPTALOX5ALOX15MEN1TP53
SCHEMBL20122065 0.72 MAPT (0.45) MAPTELANEALOX5ALOX15TP53
SCHEMBL10878735 0.72 EPHX2 (0.57) MAPTELANEALOX5ALOX15TP53

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-117881658-A Two-step synthesis of pyrrole compounds from furan compounds 切弗朗菲利浦化学公司 2024-04-12 CN disclosed