SCHEMBL20206751

SCHEMBL20206751

CC(=O)c1cc(C)cc(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
CA1 P00915 1/20 0.37
MAPT P10636 2/20 0.37
CYP2C19 P33261 1/20 0.35
LPO P22079 1/20 0.34
PTGS1 P23219 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HCAR1 Q9BXC0 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 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
SCHEMBL11957579 0.76 LMNA (0.65) LMNAALDH1A1CYP1A2CA1CYP2C19
SCHEMBL13692394 0.73
SCHEMBL13872418 0.72 SMN1; SMN2 (0.61) LMNAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL2962199 0.70
SCHEMBL1700765 0.69
Hydrochloric Acid SCHEMBL4286162 0.68 BAZ2B (0.46) LMNAALDH1A1KDM4ECA1LPO
SCHEMBL18520559 0.68 NPC1 (0.57) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL20206904 0.67 MMP1 (0.56) MMP1MMP2MMP9MMP12
SCHEMBL17920327 0.66 HRH4 (0.59) LMNAALDH1A1KDM4EMAPTMEN1
SCHEMBL16234632 0.66 EIF4A3 (0.50) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed