SCHEMBL8475295

SCHEMBL8475295

COc1ccc(-c2c[c]c(CCO)c(C)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.44
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
ESR2 Q92731 1/20 0.35
ABL1 P00519 1/20 0.34
ABCB1 P08183 1/20 0.34
BCR P11274 1/20 0.34
MAOB P27338 1/20 0.34
BACE1 P56817 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8479756 0.85 HEXA (0.38) PTGS2HDAC4HDAC2HDAC8POLB
SCHEMBL8477304 0.82 PDCD1 (0.38) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL8477928 0.80 PTGS2 (0.38) PTGS2
SCHEMBL8480091 0.77 PTGS2 (0.47) PTGS2HDAC4HDAC2HDAC8MEN1
SCHEMBL8475444 0.77 LTA4H (0.41) PTGS2HDAC4HDAC2HDAC8MEN1
SCHEMBL8480981 0.77 PTGS2 (0.46) PTGS2HDAC4HDAC2HDAC8MEN1
SCHEMBL8474577 0.74 MGAM (0.46) MEN1KMT2AGAAABCB1BACE1
SCHEMBL8479699 0.74 HEXA (0.38) PTGS2HDAC4HDAC2HDAC8POLB
SCHEMBL8476218 0.73 GCGR (0.33) GAASMN1; SMN2LMNA
SCHEMBL8477677 0.72 PDE4B (0.43) PTGS2GAABACE1

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
US-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed