SCHEMBL5859192

SCHEMBL5859192

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.51
IRAK4 Q9NWZ3 1/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
ATR Q13535 1/20 0.46
KDR P35968 1/20 0.46
BRAF P15056 1/20 0.45
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
PKM P14618 1/20 0.44
GAA P10253 2/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.43
ABL1 P00519 2/20 0.42
BCR P11274 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL5859183 0.90 MAPT (0.49) PSMD14KMT2AKDRLMNARAB9A
SCHEMBL5860145 0.85 BRAF (0.49) PSMD14IRAK4KMT2APOLBATR
SCHEMBL5859896 0.83 MKNK1 (0.39) LMNAKDM4E
SCHEMBL6661408 0.78 GPR27 (0.44) POLBLMNAGAARAB9A
SCHEMBL5859955 0.77 CYP2C9 (0.43) KMT2ATDP1MEN1ABL1BCR
SCHEMBL5860138 0.77 PSMD14 (0.49) PSMD14IRAK4KMT2APOLBATR
SCHEMBL5859125 0.77 PSMD14 (0.49) PSMD14IRAK4KMT2APOLBATR
SCHEMBL5859035 0.76 HTT (0.41) KMT2AKDM4ETDP1MEN1ABL1
SCHEMBL5859923 0.76 MAPT (0.49) KMT2AKDRBRAFLMNAMEN1
SCHEMBL5859281 0.75 CYP3A4 (0.48) KMT2APOLBKDRBRAFLMNA

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