SCHEMBL11596353

SCHEMBL11596353

CCOc1ccc(OCC)c(N(C(=O)CC(C)=O)C(=O)CC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ EPHX1 P07099 2/20 0.48
▸ TSHR P16473 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CREBBP Q92793 1/20 0.40

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
SCHEMBL11211110 0.81 HSD17B10 (0.45) TSHRHTTALDH1A1LMNAKMT2A
SCHEMBL11214201 0.75 LMNA (0.47) KDM4EHTTALDH1A1LMNAKMT2A
SCHEMBL10998181 0.73 NQO1 (0.46) KDM4EEPHX1TSHRHTTLMNA
SCHEMBL11393589 0.72 KDM4E (0.55) KDM4EEPHX1TSHRHTTALDH1A1
SCHEMBL11208904 0.72 CYP2C9 (0.40) KDM4ETSHRHTTALDH1A1LMNA
SCHEMBL10497899 0.71 CYP3A4 (0.68) KDM4EEPHX1TSHRHTTLMNA
SCHEMBL9182141 0.71 EPHX1 (0.74) KDM4EEPHX1TSHRHTTALDH1A1
SCHEMBL11434471 0.71 TDP1 (0.45) KDM4EALDH1A1LMNAKMT2ATDP1
SCHEMBL11705566 0.71 ALDH1A1 (0.56) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL11342978 0.70 KDM4E (0.46) KDM4EEPHX1TSHRALDH1A1MEN1

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-0004611-A1 Process for the preparation of acetoacetylaryl amides CIBA-GEIGY AG (CH) 1979-10-17 — — EP disclosed
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