SCHEMBL9842891

SCHEMBL9842891

CCCC(=O)Nc1ccc(OC(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
POLB P06746 1/20 0.56
MAPT P10636 2/20 0.55
APOBEC3A P31941 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
ALDH1A1 P00352 7/20 0.55
KMT2A Q03164 3/20 0.55
MAPK1 P28482 1/20 0.55
MTNR1B P49286 2/20 0.55
MEN1 O00255 2/20 0.54
HPGD P15428 2/20 0.54
MTNR1A P48039 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL28909551 0.87 POLB (0.62) POLBMAPTAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL9428604 0.83 POLB (0.57) POLBMAPTAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL20679552 0.81 RNF4 (0.59) POLBMAPTAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL8277402 0.80 L3MBTL1 (0.77) TP53MAPTALDH1A1KMT2AMAPK1
SCHEMBL24323392 0.79 L3MBTL1 (0.52) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL9842935 0.79 TP53 (0.66) TP53MAPTALDH1A1KMT2AMTNR1B
SCHEMBL9842944 0.79 POLB (0.77) TP53POLBMAPTALDH1A1KMT2A
SCHEMBL5952262 0.78 MEN1 (0.61) TP53POLBMAPTAPOBEC3AAPOBEC3G
SCHEMBL19464660 0.78 KMT2A (0.56) TP53POLBMAPTAPOBEC3AAPOBEC3G
SCHEMBL9842921 0.78 EPHX2 (0.63) TP53ALDH1A1KMT2AMTNR1BMEN1

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-0440503-A1 4-Isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-08-07 EP disclosed