SCHEMBL8605251

SCHEMBL8605251

COc1ccc(C(=O)c2cc(C)c(CC(=O)O)[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ AKR1C2 P52895 3/20 0.44
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ SRD5A2 P31213 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL8606847 0.88 HDAC6 (0.43) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3231863 0.86 PTGS2 (0.44) MAPTMEN1KMT2ASRD5A2ALDH1A1
SCHEMBL8336761 0.83 GRM5 (0.39) MEN1KMT2ATSHRAKR1C2SRD5A2
SCHEMBL8053596 0.81 GAA (0.44) MAPTMEN1KMT2ACYP2C9HDAC6
SCHEMBL7676938 0.77 MAPT (0.52) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3992020 0.77 ALDH1A1 (0.41) MAPTCYP1A2CYP3A4CYP2C9AKR1C2
SCHEMBL7678368 0.76 MAPT (0.51) MAPTMEN1KMT2AAKR1C2CA1
SCHEMBL11859212 0.76 HPGD (0.56) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8338116 0.75 ALOX15 (0.51) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL9724259 0.73 ALDH1A1 (0.43) MAPTMEN1KMT2ASRD5A2ALDH1A1

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-5721347-A Esters and amides of substituted pyrrole acetic acids CELL PATHWAYS, INC. (US) 1998-02-24 — — US disclosed
EP-0485157-A2 Esters and amides of substituted pyrrole acetic acids FGN, INC. (US) 1992-05-13 — — EP disclosed
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