SCHEMBL9872800

SCHEMBL9872800

O=C(NC1(c2c(F)c(F)c(C(=O)O)c(F)c2F)CC1)OCc1ccccc1

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
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MGLL Q99685 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL9874253 0.89 RORC (0.43) RORCCTSLCTSBCTSSALDH1A1
SCHEMBL9872276 0.84 RORC (0.41) RORCCTSLCTSBCTSSALDH1A1
SCHEMBL9873858 0.83 RORC (0.42) RORCCTSLCTSBCTSSALDH1A1
SCHEMBL9874569 0.77 RORC (0.41) RORCCTSLCTSBCTSSALDH1A1
SCHEMBL5097407 0.75 MIF (0.49) CTSLCTSBCTSSALDH1A1GAA
SCHEMBL9875839 0.74 RORC (0.40) RORCCTSLCTSBCTSSALDH1A1
SCHEMBL12133695 0.74 SLC6A2 (0.45) CTSLCTSBCTSSALDH1A1GAA
SCHEMBL15873873 0.74 CTSL (0.47) CTSLCTSBCTSSMGLLLMNA
Hydrochloric Acid SCHEMBL15873872 0.73 CTSL (0.46) CTSLCTSBCTSSLMNASMN1; SMN2
SCHEMBL2147161 0.72 HTT (0.42) RORCCTSLCTSBCTSSMGLL

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