SCHEMBL30889342

SCHEMBL30889342

CCCCc1cc(CCCC)c(CCCC)o1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.40
CTRC Q99895 1/20 0.39
TYR P14679 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.36
HCAR2 Q8TDS4 3/20 0.36
GAA P10253 2/20 0.36
FFAR3 O14843 2/20 0.36
HCAR3 P49019 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
ELANE P08246 3/20 0.34
FFAR2 O15552 1/20 0.34

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
SCHEMBL30889347 0.94 MAPT (0.42) TLR8TYRMAPTHCAR2MEN1
SCHEMBL30889343 0.92 MAPT (0.45) TYRMAPTHCAR2MEN1KMT2A
SCHEMBL30889348 0.92 MAPT (0.45) TYRMAPTHCAR2MEN1KMT2A
SCHEMBL29958550 0.92 MAPT (0.45) TYRMAPTHCAR2MEN1KMT2A
SCHEMBL5164704 0.78 TLR8 (0.37) TLR8MAPTSMN1; SMN2ALOX15ELANE
SCHEMBL30318954 0.74 HCAR2 (0.38) TYRMAPTHCAR2MEN1KMT2A
SCHEMBL31266381 0.71 MAPT (0.45) TLR8CTRCMAPTALDH1A1HCAR2
SCHEMBL27760658 0.71 TDP1 (0.53) CTRCMAPTALDH1A1HCAR2GAA
SCHEMBL11682168 0.70 TYR (0.50) TLR8CTRCTYRMAPTMEN1
SCHEMBL3925033 0.70 TLR8 (0.40) TLR8MAPTALDH1A1MAPK1SMN1; SMN2

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