SCHEMBL9872276

SCHEMBL9872276

CCOC(=O)CC(=O)c1c(F)c(F)c(C2(NC(=O)OCc3ccccc3)CC2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PPID Q08752 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL9872800 0.84 RORC (0.43) RORCCTSLCTSBCTSSNPC1
SCHEMBL9874253 0.84 RORC (0.43) RORCCTSLCTSBCTSSNPC1
SCHEMBL9874569 0.78 RORC (0.41) RORCCTSLCTSBCTSSNPC1
SCHEMBL9875004 0.76 RORC (0.36) RORCCTSLCTSBCTSSL3MBTL1
SCHEMBL9873858 0.74 RORC (0.42) RORCCTSLCTSBCTSSNPC1
SCHEMBL19784031 0.74 CTSS (0.52) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL7012029 0.73 TP53 (0.43) PPIDL3MBTL1SMN1; SMN2TDP1KDM4E
SCHEMBL9261508 0.70 MRGPRX4 (0.43) NPC1RAB9ASMN1; SMN2TDP1KDM4E
SCHEMBL16219332 0.70 CTSL (0.52) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL2913795 0.70 CTSS (0.55) CTSLCTSBCTSSNPC1RAB9A

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