SCHEMBL8045015

SCHEMBL8045015

O=C(c1cnoc1-c1ccc(S(F)(F)(F)(F)F)cc1)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
LMNA P02545 1/20 0.32
TRPV1 Q8NER1 2/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RIPK1 Q13546 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL9115919 0.82 RAB9A (0.44) TRPV1ALDH1A1NPC1RAB9A
SCHEMBL9115252 0.81 TRPV1 (0.47) LMNATRPV1NPSR1NPC1RAB9A
SCHEMBL9114552 0.78 DHODH (0.43) NPC1RAB9A
SCHEMBL8108797 0.78 HCRTR1 (0.37) HCRTR1HCRTR2LMNAALDH1A1NPC1
SCHEMBL8041945 0.78 AR (0.30)
SCHEMBL8109638 0.77 PTGS2 (0.41)
SCHEMBL8043245 0.77 JAK2 (0.30)
SCHEMBL8100359 0.76 HCRTR1 (0.36) HCRTR1HCRTR2LMNANPC1RAB9A
SCHEMBL8109508 0.76 NPC1 (0.44) LMNAALDH1A1TSHRNPSR1NPC1
SCHEMBL9113721 0.73 RXRA (0.37) LMNATRPV1NPSR1RIPK1NPC1

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
US-5849928-A Herbicidal isoxazole and 2-cyano-1,3-dione compounds RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-12-15 US claimed
US-6140528-A ALKYL PENTAFLUOROSULFANYL-SUBSTITUTED-BENZOATES RHONE-POULENC AGRICULTURE LTD (GB) 2000-10-31 US disclosed
US-6013805-A USED AS HERBICIDES RHONE-POULENC AGRICULTURE LTD (GB) 2000-01-11 US disclosed
US-5849928-A Herbicidal isoxazole and 2-cyano-1,3-dione compounds RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-12-15 US disclosed