SCHEMBL4989552

SCHEMBL4989552

c1cc(-c2ccc(CC3CS3)cc2)ccc1CC1CS1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.36
HRH4 Q9H3N8 3/20 0.32
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP2 P08253 4/20 0.31
MMP9 P14780 4/20 0.31
MMP14 P50281 4/20 0.31
MMP8 P22894 3/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31

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
SCHEMBL4644559 0.92 MMP2 (0.33) MMP2MMP9MMP14MMP8MMP3
SCHEMBL4992502 0.85 ALDH1A1 (0.36) MEN1KMT2AMMP2MMP9MMP14
SCHEMBL10824285 0.81 CAPN1 (0.46) KMT2AMMP2MMP9MMP14MMP8
SCHEMBL6916462 0.80 GBA1 (0.43)
SCHEMBL4646747 0.79 MMP2 (0.49) MMP2MMP9MMP14MMP8MMP3
SCHEMBL4647523 0.76 MMP2 (0.43) MMP2MMP9MMP14MMP8MMP3
SCHEMBL4650286 0.76 TSHR (0.37) MEN1KMT2A
SCHEMBL4646933 0.72 BCHE (0.34) HRH3KMT2A
SCHEMBL4648468 0.72 NAAA (0.43) TAAR1
SCHEMBL15282666 0.70 CYP1A2 (0.48) HRH3KMT2A

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
US-20080206668-A1 NEGATIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-08-28 US disclosed