SCHEMBL6660693

SCHEMBL6660693

COC1=C(OC)C(=O)C(Cc2cccc(C(=O)N3CCCCC3)c2-c2cccnc2)=C(C)C1=O.COc1c(C)c(Cc2cccc(C(=O)N3CCCCC3)c2-c2cccnc2)c(OC)c(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
SCN9A Q15858 5/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 3/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GLA P06280 2/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5860204 0.92 CYP2C9 (0.41) CYP2C9ABL1BCRSCN9AALDH1A1
SCHEMBL5859265 0.91 CYP2C9 (0.42) CYP2C9ABL1BCRSCN9AALDH1A1
SCHEMBL5859244 0.83 CYP46A1 (0.44) CYP2C9SCN9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL5859304 0.82 CYP46A1 (0.43) CYP2C9SCN9AALDH1A1MEN1HPGD
SCHEMBL5859844 0.77 KDM4E (0.39) ALDH1A1LMNAKDM4E
SCHEMBL5860335 0.76 SLC2A1 (0.43) ALDH1A1KMT2A
SCHEMBL5859230 0.76 CYP2C9 (0.46) CYP2C9ABL1BCRALDH1A1MEN1
SCHEMBL5859180 0.76 CYP2C9 (0.43) CYP2C9ABL1BCRALDH1A1MEN1
SCHEMBL5859237 0.75 CYP2C9 (0.44) CYP2C9ABL1BCRSCN9AALDH1A1
SCHEMBL5858943 0.75 CYP2C9 (0.46) CYP2C9ABL1BCRSCN9AALDH1A1

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-1437339-A1 SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING NF-KAPPA B INHIBITING ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-07-14 EP disclosed