SCHEMBL6179992

SCHEMBL6179992

Cc1c(C(=O)c2cnoc2C2CC2)ccc2c1OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
MAPT P10636 2/20 0.37
PDE2A O00408 1/20 0.37
HPGD P15428 1/20 0.37
DHODH Q02127 3/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
AOC3 Q16853 1/20 0.33
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6182422 0.85 RAB9A (0.35) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL6181189 0.84 NPC1 (0.35) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL6182121 0.83 PDE2A (0.35) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL9242247 0.82 TAS2R8 (0.38) NPC1RAB9ASMN1; SMN2TP53PDE2A
SCHEMBL6180670 0.81 AOC3 (0.36) NPC1RAB9ASMN1; SMN2TP53PDE2A
SCHEMBL9115729 0.79 DHODH (0.38) LMNAMAPTPDE2AHPGDDHODH
SCHEMBL9243006 0.79 SRD5A2 (0.50) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL27513121 0.78 DHODH (0.46) LMNAMAPTPDE2ADHODHTAS1R3
SCHEMBL9069970 0.77 DHODH (0.36) RAB9ASMN1; SMN2LMNAMAPTPDE2A
SCHEMBL27341885 0.76 DHODH (0.34) LMNAPDE2ADHODHTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1160244-B1 Isoxazole derivatives and their use as herbicides BAYER AGRICULTURE LTD (GB) 2005-10-19 EP claimed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP claimed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US claimed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP claimed
EP-1160244-B1 Isoxazole derivatives and their use as herbicides BAYER AGRICULTURE LTD (GB) 2005-10-19 EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed