SCHEMBL3420100

SCHEMBL3420100

Cc1cc(C(C)(O)C(F)(F)F)cc(C)c1NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
PDK1 Q15118 6/20 0.39
PDK2 Q15119 6/20 0.39
PDK3 Q15120 6/20 0.39
PDK4 Q16654 6/20 0.39
ALDH1A1 P00352 1/20 0.39
ABCC9 O60706 3/20 0.38
ABCC8 Q09428 3/20 0.38
KCNJ11 Q14654 3/20 0.38
KCNJ8 Q15842 3/20 0.38
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.36
PTPRB P23467 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3431607 0.85 SMN1; SMN2 (0.46) HPGDTSHRRAB9AALDH1A1KCNJ11
SCHEMBL3420846 0.78 NR1H2 (0.43) RAB9APDK1PDK2PDK3PDK4
SCHEMBL3419156 0.76 PDK1 (0.54) HSD11B1RAB9APDK1PDK2PDK3
SCHEMBL20956394 0.76 PDK1 (0.54) HSD11B1RAB9APDK1PDK2PDK3
SCHEMBL19180948 0.76 PDK1 (0.54) HSD11B1RAB9APDK1PDK2PDK3
SCHEMBL1827810 0.74 GAA (0.45) TSHRRAB9AABCC9ABCC8KCNJ11
SCHEMBL2259335 0.74 PTGS1 (0.55) RAB9AALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL17286709 0.74 ESR1 (0.45) HSD11B1
SCHEMBL1813435 0.74 HSD11B1 (0.37) HSD11B1
SCHEMBL2094230 0.73 ALDH1A1 (0.65) HPGDTSHRALDH1A1HTTLMNA

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-2010015355-A2 NOVEL ACYLAMINOBENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-02-11 WO disclosed