SCHEMBL9428604

SCHEMBL9428604

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
MAPT P10636 3/20 0.56
APOBEC3A P31941 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
ALDH1A1 P00352 7/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 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 0.85 POLB (0.62) POLBMAPTAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL11162349 0.84 TSHR (0.56) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL5952262 0.83 MEN1 (0.61) POLBMAPTAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL9842891 0.83 TP53 (0.60) POLBMAPTAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL20679552 0.82 RNF4 (0.59) POLBMAPTAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL11427058 0.81 MAPT (0.61) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL593172 0.80 MAPT (0.74) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL1117828 0.80 L3MBTL1 (0.69) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4118526 0.79 MAPT (0.66) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL21695331 0.78 ALDH1A1 (0.58) POLBMAPTAPOBEC3AAPOBEC3GALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328907-A Treatment of allograft rejection in mammals and antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1994-07-12 US disclosed
US-5108999-A For treating inflammation, autoimmune disease or allograft rejection in mammals SYNTEX (U.S.A.) INC. (US) 1992-04-28 US disclosed
US-5001124-A 4-isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-03-19 US disclosed