SCHEMBL20548368

SCHEMBL20548368

O=C(Nc1ccc(CCl)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.65
▸ PTGS1 P23219 2/20 0.65
▸ NPC1 O15118 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ HIF1A Q16665 4/20 0.64
▸ EPAS1 Q99814 4/20 0.64
▸ RORC P51449 1/20 0.63
▸ KCNQ3 O43525 1/20 0.57
▸ KCNQ2 O43526 1/20 0.57
▸ KCNE1 P15382 1/20 0.57
▸ KCNQ1 P51787 1/20 0.57
▸ HDAC3 O15379 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ PTGDR2 Q9Y5Y4 1/20 0.56
▸ TRPV4 Q9HBA0 1/20 0.55
▸ EPHX2 P34913 1/20 0.54
▸ POLB P06746 1/20 0.54

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
SCHEMBL2021051 0.88 MEN1 (0.57) TRPV1NPC1RAB9APOLB
SCHEMBL21674204 0.88 MEN1 (0.57) TRPV1NPC1RAB9APOLB
SCHEMBL7513604 0.87 TRPV1 (0.83) TRPV1PTGS1NPC1RAB9ARORC
SCHEMBL12514766 0.84 NR1H4 (0.58) TRPV1NPC1RAB9AHDAC3HDAC8
SCHEMBL12440876 0.83 NR1H4 (0.62) TRPV1NPC1RAB9APOLB
SCHEMBL12440844 0.83 MEN1 (0.52) NPC1RAB9APOLB
SCHEMBL28910371 0.82 TRPV1 (0.71) TRPV1PTGS1NPC1RAB9ARORC
SCHEMBL20548351 0.82 KMT2A (0.61) NPC1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL507529 0.81 LSS (0.68) EPHX2
SCHEMBL3142668 0.81 RAB9A (0.66) NPC1RAB9AKCNQ3KCNQ2KCNE1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3398970-B1 A METHOD OF SYNTHESIZING CELLULOSE CARBONATE AGENCY SCIENCE TECH & RES (SG) 2020-02-12 — — EP claimed
EP-3398970-A1 A METHOD OF SYNTHESIZING CELLULOSE CARBONATE Agency for Science, Technology and Research (SG) 2018-11-07 — — EP claimed
EP-3398970-B1 A METHOD OF SYNTHESIZING CELLULOSE CARBONATE AGENCY SCIENCE TECH & RES (SG) 2020-02-12 — — EP disclosed
EP-3398970-A1 A METHOD OF SYNTHESIZING CELLULOSE CARBONATE Agency for Science, Technology and Research (SG) 2018-11-07 — — EP disclosed
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