SCHEMBL5859082

SCHEMBL5859082

COC1=C(OC)C(=O)C(c2cc(C)c(-c3ccccc3OC)c(C(=O)Nc3ccc(OC)cc3)c2)=C(C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 4/20 0.47
POLB P06746 3/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 3/20 0.47
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.45
PSMB11 A5LHX3 1/20 0.45
PSMA7 O14818 1/20 0.45
PSMB1 P20618 1/20 0.45
PSMA1 P25786 1/20 0.45

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
SCHEMBL5859855 0.88 NPC1 (0.51) MEN1KMT2AMAPTNPC1POLB
SCHEMBL5862046 0.88 NPC1 (0.50) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL5859069 0.85 NPC1 (0.46) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL5859281 0.84 CYP3A4 (0.48) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL5862118 0.83 GPR35 (0.46) MEN1KMT2AMAPTPOLBHSP90AA1
SCHEMBL5860145 0.81 BRAF (0.49) MEN1KMT2AMAPTNPC1POLB
SCHEMBL5862164 0.74 GPR35 (0.44) MAPTSMN1; SMN2HSD17B10NPC1POLB
SCHEMBL5860337 0.74 APOB (0.44)
SCHEMBL7064963 0.73 POLB (0.44) MEN1KMT2AMAPTSMN1; SMN2HSD17B10
SCHEMBL5859074 0.73 MEN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2TSHR

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