SCHEMBL9706658

SCHEMBL9706658

COC(=O)n1c2c(c(=O)n(-c3cc(C(=O)O)c(Cl)cc3F)c1=O)CCC2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.32
PYGL P06737 1/20 0.32
TSHR P16473 1/20 0.31
GRM7 Q14831 1/20 0.30
GRM4 Q14833 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL9706682 0.89 TSHR (0.33) EPHX2TSHRMEN1ALDH1A1LMNA
SCHEMBL9706531 0.88 MAPT (0.34) LMNA
SCHEMBL9706554 0.84 HPGD (0.34) EPHX2TSHRGRM4MEN1ALDH1A1
SCHEMBL10645585 0.83 HPGD (0.34) EPHX2TSHRGRM4MEN1ALDH1A1
SCHEMBL9706687 0.82 HPGD (0.34) EPHX2TSHRMEN1ALDH1A1LMNA
SCHEMBL9706633 0.80 HPGD (0.34) MEN1ALDH1A1LMNAKMT2A
SCHEMBL9706504 0.78 PPOX (0.33) LMNA
SCHEMBL9423141 0.76 TSHR (0.36) TSHRALDH1A1
SCHEMBL9423166 0.74 SLC6A3 (0.34)
SCHEMBL10645580 0.74 HPGD (0.31) TSHR

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
EP-0195346-B1 3-ARYL URACILES AND THEIR USE AS HERBICIDES CIBA-GEIGY AG (CH) 1992-06-24 EP claimed