SCHEMBL7474826

SCHEMBL7474826

CNC(=O)Nc1[c]cccc1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS2 P35354 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
HPGD P15428 1/20 0.39
GGT1 P19440 1/20 0.39
PTGS1 P23219 1/20 0.39
BLM P54132 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
ACHE P22303 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
SCHEMBL7471949 0.86 HSD17B10 (0.42) ALDH1A1PTGS2KDM4EHSD17B10TSHR
SCHEMBL7476821 0.84 SMN1; SMN2 (0.42) ALDH1A1RECQLSMN1; SMN2HSD17B10TSHR
SCHEMBL7476286 0.83 ALDH1A1 (0.36) ALDH1A1RECQLSMN1; SMN2HSD17B10PTGS1
SCHEMBL7471763 0.76 ALDH1A1 (0.46) ALDH1A1RECQLSMN1; SMN2KDM4ETSHR
SCHEMBL6176436 0.75 PTGS2 (0.47) ALDH1A1PTGS2KDM4EHSD17B10TSHR
SCHEMBL1452054 0.72 PTGS2 (0.47) ALDH1A1RECQLPTGS2KDM4EHSD17B10
SCHEMBL7474651 0.71 MAPK1 (0.43) ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL7474112 0.71 L3MBTL1 (0.37) ALDH1A1RECQLSMN1; SMN2KDM4EHSD17B10
SCHEMBL9672920 0.70 PTGS2 (0.46) ALDH1A1PTGS2KDM4EHSD17B10TSHR
SCHEMBL7469630 0.70 KDM4E (0.42) ALDH1A1RECQLSMN1; SMN2PTGS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP disclosed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed