SCHEMBL9711709

SCHEMBL9711709

COC(=O)C1C(=O)CC(c2ccccc2)N(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 2/20 0.44
SLC6A3 Q01959 7/20 0.43
SLC6A4 P31645 5/20 0.43
SLC6A2 P23975 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL9711499 0.74 KMT2A (0.40) ATMALDH1A1MEN1KMT2A
SCHEMBL6607989 0.71 LDHA (0.43) TSHRSLC6A3SLC6A4SLC6A2MEN1
SCHEMBL14071974 0.71 MEN1 (0.39) ATMALDH1A1TSHRSLC6A3SLC6A4
SCHEMBL10686321 0.71 CA1 (0.57) TSHRSLC6A3SLC6A4SLC6A2MEN1
SCHEMBL13910199 0.70 ABCB1 (0.47) MEN1KMT2A
SCHEMBL8744053 0.70 HSD17B2 (0.51) SLC6A3SLC6A4SLC6A2
SCHEMBL3235237 0.68 KMT2A (0.47) ATMSLC6A3SLC6A4SLC6A2MEN1
SCHEMBL2224192 0.67 FKBP1A (0.50) ALDH1A1KMT2APOLB
SCHEMBL3338887 0.66 MEN1 (0.45) ALDH1A1SLC6A3SLC6A4SLC6A2MEN1
SCHEMBL10827752 0.65 ALDH1A1 (0.46) ATMALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed