SCHEMBL5859183

SCHEMBL5859183

COC1=C(OC)C(=O)C(c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(-c3cccnc3)c2C)=C(C)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
XBP1 P17861 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 2/20 0.43
ABL1 P00519 3/20 0.42
BCR P11274 1/20 0.41
PSMD14 O00487 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
TRPV1 Q8NER1 3/20 0.40
KDR P35968 1/20 0.40
NPC1 O15118 1/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 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
SCHEMBL5859192 0.90 PSMD14 (0.51) MAPTMEN1KMT2ALMNAABL1
SCHEMBL6661408 0.89 GPR27 (0.44) LMNASMN1; SMN2NPSR1NPC1GMNN
SCHEMBL5859923 0.86 MAPT (0.49) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5859896 0.81 MKNK1 (0.39) LMNAHTTDHODH
SCHEMBL5860306 0.80 SMO (0.44) MAPTLMNASMN1; SMN2NPSR1TRPV1
SCHEMBL5859178 0.78 MAPT (0.48) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5859917 0.78 MAPT (0.48) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5860337 0.77 APOB (0.44) TRPV1
SCHEMBL5860145 0.76 BRAF (0.49) MAPTMEN1KMT2ALMNAABL1
SCHEMBL5859955 0.74 CYP2C9 (0.43) MEN1KMT2ASMN1; SMN2ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122543-B2 Substituted benzoic acid derivatives having NF-κB inhibiting action DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-10-17 US disclosed
EP-1437339-A1 SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING NF-KAPPA B INHIBITING ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-07-14 EP disclosed