SCHEMBL28336992

SCHEMBL28336992

CCCCCc1c[c]ccc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.40
ALOX5 P09917 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LIPG Q9Y5X9 1/20 0.37
HTR2A P28223 1/20 0.36
TLR8 Q9NR97 8/20 0.35
PTGS2 P35354 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
SCHEMBL15008845 0.94 TYR (0.39) TYRALOX5MEN1TP53CYP3A4
SCHEMBL14842441 0.86 TAAR1 (0.31)
SCHEMBL463162 0.85 TYR (0.43) TYRALOX5MEN1TP53CYP3A4
SCHEMBL7447639 0.84 TYR (0.46) TYRALOX5MEN1TP53CYP3A4
SCHEMBL27297994 0.84 TYR (0.46) TYRALOX5MEN1TP53CYP3A4
SCHEMBL27327339 0.84 TYR (0.46) TYRALOX5MEN1TP53CYP3A4
SCHEMBL27298915 0.84 TYR (0.46) TYRALOX5MEN1TP53CYP3A4
SCHEMBL27305337 0.84 TYR (0.46) TYRALOX5MEN1TP53CYP3A4
SCHEMBL8038209 0.84 TYR (0.46) TYRALOX5MEN1TP53CYP3A4
SCHEMBL677099 0.82 LIPG (0.40) TYRALOX5MEN1TP53CYP3A4

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-105143170-B For treating the aromatic compounds of pulmonary fibrosis, liver fibrosis, fibrosis of skin and cardiac fibrosis being substituted 普罗米蒂克医药SMT有限公司 2019-11-08 CN disclosed