SCHEMBL22296649

SCHEMBL22296649

COC(=O)c1ccc(CCCC(F)(F)CS)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.59
CYP4F2 P78329 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.47
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
CKS1B P61024 1/20 0.44
SKP2 Q13309 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
IDH1 O75874 1/20 0.42
CCR6 P51684 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
MAPT P10636 2/20 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
SCHEMBL880015 0.85 CYP4A11 (0.66) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL19922867 0.84 CYP4A11 (0.64) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL12196964 0.81 CYP4A11 (0.67) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL7607124 0.80 CYP4A11 (0.72) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL8337316 0.79 CYP4A11 (0.60) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL10609552 0.78 CYP4A11 (0.74) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL8759220 0.77 CYP4A11 (0.72) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL2653637 0.77 CYP4A11 (0.67) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL5118351 0.76 CYP4A11 (0.66) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL8759817 0.76 LOXL2 (0.67) CYP4A11CYP4F2LOXL2ALDH1A1TP53

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-3510022-B1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2020-08-05 EP disclosed