SCHEMBL28044055

SCHEMBL28044055

Cc1cccc(C(=O)Oc2cccc3ccccc23)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.72
▸ ESR1 P03372 4/20 0.72
▸ MEN1 O00255 4/20 0.72
▸ ESR2 Q92731 3/20 0.72
▸ POLB P06746 1/20 0.72
▸ ALOX5 P09917 2/20 0.63
▸ PTGES O14684 1/20 0.57
▸ RAB9A P51151 3/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ NLRP3 Q96P20 1/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ GAA P10253 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ PGR P06401 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ MAPT P10636 5/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ USP2 O75604 1/20 0.51

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
SCHEMBL28683211 0.92 KMT2A (0.69) KMT2AESR1MEN1ESR2POLB
SCHEMBL29613809 0.89 ALOX5 (0.71) KMT2AESR1MEN1ESR2POLB
SCHEMBL5081762 0.89 ALOX5 (0.71) KMT2AESR1MEN1ESR2POLB
SCHEMBL28372177 0.87 KMT2A (0.63) KMT2AESR1MEN1ESR2POLB
SCHEMBL21348370 0.85 ALOX5 (0.63) KMT2AESR1MEN1ESR2POLB
SCHEMBL25969901 0.85 KMT2A (0.56) KMT2AESR1MEN1ESR2POLB
SCHEMBL10921870 0.84 ALOX5 (0.66) KMT2AESR1MEN1ESR2POLB
SCHEMBL20646411 0.84 KMT2A (0.62) KMT2AESR1MEN1ESR2POLB
SCHEMBL28044161 0.84 ESR1 (0.70) KMT2AESR1MEN1ESR2POLB
SCHEMBL30874080 0.84 KMT2A (0.70) KMT2AESR1MEN1ESR2POLB

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
CN-105189570-A Mixed internal donor structures for 1-olefin polymerization catalysts BASF SE 2015-12-23 — — CN claimed
CN-105189570-A Mixed internal donor structures for 1-olefin polymerization catalysts BASF SE 2015-12-23 — — CN disclosed
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