SCHEMBL9874253

SCHEMBL9874253

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MGLL Q99685 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPIA P62937 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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 0.89 RORC (0.43) RORCCTSLCTSBCTSSRAB9A
SCHEMBL9872276 0.84 RORC (0.41) RORCCTSLCTSBCTSSMEN1
SCHEMBL9874569 0.78 RORC (0.41) RORCCTSLCTSBCTSSMEN1
SCHEMBL9873858 0.78 RORC (0.42) RORCCTSLCTSBCTSSRAB9A
SCHEMBL17892948 0.73 PKM (0.45) CTSLCTSBCTSSKMT2ARAB9A
SCHEMBL5097407 0.72 MIF (0.49) CTSLCTSBCTSSRAB9ANPC1
SCHEMBL15873873 0.72 CTSL (0.47) CTSLCTSBCTSSMGLLSMN1; SMN2
SCHEMBL31644614 0.72 LMNA (0.58) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL14743992 0.71 CTSL (0.54) CTSLCTSBCTSSRAB9ANPC1
Hydrochloric Acid SCHEMBL15873872 0.71 CTSL (0.46) CTSLCTSBCTSSSMN1; SMN2LMNA

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