SCHEMBL8100211

SCHEMBL8100211

O=C(CC(=O)C1CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
KMT2A Q03164 1/20 0.48
KMO O15229 5/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
AGTR1 P30556 1/20 0.47
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
HSD11B1 P28845 1/20 0.44

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
SCHEMBL17895439 0.86 TAS1R3 (0.48) ATMKMT2ATSHRALDH1A1TAS1R3
SCHEMBL8729661 0.82 ATM (0.39) ATMKMT2ATSHRALDH1A1LMNA
SCHEMBL9015106 0.82 TSHR (0.61) KMT2AKMOTSHRPOLBHPGD
SCHEMBL19806639 0.81 ERCC5 (0.55) KMT2AALDH1A1LMNAPOLB
SCHEMBL7582286 0.80 HPGD (0.40) ATMKMT2AALDH1A1LMNAAGTR1
SCHEMBL4243119 0.79 KMT2A (0.40) ATMKMT2AALDH1A1LMNAPOLB
SCHEMBL6678525 0.77 KMO (0.59) ATMKMT2AKMOTSHRHPGD
SCHEMBL8525016 0.76 TDP1 (0.39) ATMKMT2AALDH1A1SLC6A4HPGD
SCHEMBL13308382 0.76 KMO (0.50) KMOTSHRALDH1A1LMNAAGTR1
SCHEMBL2127069 0.74 TSHR (0.57) KMOTSHRSLC6A4SLC6A3HPGD

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-0524018-B1 Isoxazole herbicides RHONE POULENC AGRICULTURE (GB) 2000-10-18 EP disclosed
US-5424276-A Herbicidal 4-acyl-5-pyridylisoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1995-06-13 US disclosed
US-5366957-A Plant growth regulators RHONE-POULENC ARGRICULTURE LTD (GB) 1994-11-22 US disclosed
EP-0524018-A1 Isoxazole herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-01-20 EP disclosed