SCHEMBL7934892

SCHEMBL7934892

CC(Oc1ccccc1Oc1ncccc1C(F)(F)F)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
P2RY1 P47900 5/20 0.45
PPARG P37231 1/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
NFE2L2 Q16236 1/20 0.41
FPR2 P25090 1/20 0.41
SCN9A Q15858 1/20 0.41
ABCB11 O95342 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RY14 Q15391 1/20 0.39
SSTR1 P30872 1/20 0.38

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
SCHEMBL30783187 0.87 DHODH (0.42) KMT2AP2RY1PPARGNFE2L2FPR2
SCHEMBL8574571 0.85 SCN9A (0.49) FPR2SCN9AALDH1A1MAPTATM
SCHEMBL9173964 0.83 KMT2A (0.54) KMT2AP2RY1PPARGHTR1ASLC6A2
SCHEMBL10689409 0.82 KMT2A (0.47) KMT2APPARGABCB11ALDH1A1
SCHEMBL9780575 0.81 PPARG (0.60) KMT2APPARGABCB11ADRA2AADRA2B
SCHEMBL9780582 0.81 PPARG (0.60) KMT2APPARGABCB11ADRA2AADRA2B
SCHEMBL9482952 0.81 KMT2A (0.54) KMT2AP2RY1SLC6A2ALDH1A1
SCHEMBL11034685 0.81 KMT2A (0.54) KMT2AP2RY1SLC6A2ALDH1A1MAPT
SCHEMBL10675473 0.76 KMT2A (0.55) KMT2APPARGABCB11
SCHEMBL1967959 0.76 KMT2A (0.58) KMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291400-B1 Herbicidal compounds ZENECA LIMITED (GB) 2001-09-18 US disclosed
US-5958839-A HERBICIDALLY ACTIVE SUBSTITUTED CYCLIC DIONES ZENECA LITMITED (GB) 1999-09-28 US disclosed
EP-0283261-B2 Herbicidal substituted cyclic diones ZENECA LTD (GB) 1998-09-09 EP disclosed
US-5563115-A PRE- AND POSTEMERGENCE HERBICIDES ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5426091-A Herbicidal compounds ZENECA LIMITED (GB) 1995-06-20 US disclosed
US-5250501-A Herbicidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-05 US disclosed
US-5210312-A Preparing herbicidal tetraalkyl cyclohexan-1,3,5-triones from unalkylated benzenetriols IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-11 US disclosed
EP-0248554-B1 HETEROCYCLIC COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-03 EP disclosed
US-5098464-A Preemergence or postemergence herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-24 US disclosed
EP-0266068-B1 HERBICIDAL COMPOSITION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-26 EP disclosed
EP-0228788-B1 HERBICIDAL DERIVATIVES OF SUBSTITUTED BENZOYL-HYDRAZINIUM COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-12-27 EP disclosed
US-4975113-A Herbeicidal composition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-12-04 US disclosed
US-4912262-A Reacting a cyclohexane-1,3,5-trione compound with a acylnitrile in presence of a base and Lewis acid IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-27 US disclosed
EP-0283261-A2 Herbicidal substituted cyclic diones ZENECA LIMITED (GB) 1988-09-21 EP disclosed
EP-0283152-A2 Process for the preparation of substituted cyclohexane-1,3,5-triones IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-21 EP disclosed
EP-0266068-A1 Herbicidal composition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-04 EP disclosed
EP-0248554-A2 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-09 EP disclosed
EP-0234674-A1 Herbicidal composition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-02 EP disclosed
EP-0228788-A1 Herbicidal derivatives of substituted benzoyl-hydrazinium compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-15 EP disclosed
EP-0229034-A2 Hexopyranoses and compositions for agricultural use HER MAJESTY THE QUEEN in right of New Zealand Department of Scientific and Industrial Research (NZ) 1987-07-15 EP disclosed