SCHEMBL9873530

SCHEMBL9873530

CCOC(=O)/C(=C\NCCS)C(=O)c1cc(F)c(C2(NC(=O)OCc3ccccc3)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.35
DHODH Q02127 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TLR2 O60603 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MGLL Q99685 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 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
SCHEMBL9873533 1.00 RORC (0.35) RORCDHODHL3MBTL1NR1H4CTSL
SCHEMBL9874444 0.85 RORC (0.35) RORCDHODHL3MBTL1NR1H4CTSL
SCHEMBL9875722 0.85 RORC (0.35) RORCDHODHL3MBTL1NR1H4CTSL
SCHEMBL9874569 0.81 RORC (0.41) RORCL3MBTL1CTSLCTSBCTSS
SCHEMBL9873858 0.78 RORC (0.42) RORCCTSLCTSBCTSSGAA
SCHEMBL9875004 0.74 RORC (0.36) RORCDHODHL3MBTL1NR1H4CTSL
SCHEMBL8472008 0.73 MAPT (0.41) DHODHNR1H4GAAMAPTTDP1
SCHEMBL14356264 0.71 NR1H4 (0.43) DHODHL3MBTL1NR1H4CTSLCTSB
SCHEMBL9872276 0.69 RORC (0.41) RORCL3MBTL1CTSLCTSBCTSS
SCHEMBL9873493 0.69 RORC (0.40) RORCCTSLCTSBCTSSGAA

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-4990508-A Reduced side effects TOYAMA CHEMICAL CO., LTD. (JP) 1991-02-05 US disclosed