SCHEMBL25523538

SCHEMBL25523538

CC(C)c1c(O)cc(-c2cccc3ccc(C(=O)O)nc23)cc1O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ MMP2 P08253 3/20 0.43
▸ PIM1 P11309 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MGAM O43451 1/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ACMSD Q8TDX5 1/20 0.37
▸ FDPS P14324 1/20 0.36
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36

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
SCHEMBL25524009 0.83 KDM4E (0.53) KDM4EKMT2AMMP2PIM1TDP1
SCHEMBL9907329 0.77 KDM4E (0.62) KDM4EKMT2AMMP2PIM1TDP1
SCHEMBL1724445 0.75 KDM4E (0.49) KDM4EKMT2AMMP2TDP1MGAM
SCHEMBL25523412 0.75 AHR (0.35) KDM4EKMT2ARAB9A
SCHEMBL24453816 0.73 KDM4E (0.60) KDM4EKMT2AMMP2PIM1TDP1
SCHEMBL171491 0.72 KDM4E (1.00) KDM4EKMT2AMMP2PIM1TDP1
SCHEMBL29697210 0.72 KDM4E (1.00) KDM4EKMT2AMMP2PIM1TDP1
SCHEMBL11121278 0.71 KDM4E (0.90) KDM4EKMT2AMMP2PIM1TDP1
SCHEMBL29932233 0.71 KDM4E (0.96) KDM4EKMT2AMMP2PIM1TDP1
SCHEMBL28949889 0.71 KDM4E (0.96) KDM4EKMT2AMMP2PIM1TDP1

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
WO-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 — — WO disclosed
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