SCHEMBL8923042

SCHEMBL8923042

CP(=O)(O)Oc1cc(CBr)cc(-c2cccc3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.38
▸ PPARA Q07869 9/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ ACP3 P15309 2/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ CHRNB4 P30926 2/20 0.34
▸ CHRNA3 P32297 2/20 0.34
▸ CHRNB1 P11230 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB3 Q05901 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8923039 0.90 PPARG (0.37) PPARGPPARACYP2C19CYP2C9PPARD
SCHEMBL8925299 0.83 PPARG (0.40) PPARGPPARACYP2C19CYP2C9PPARD
SCHEMBL9348895 0.81 CYP2C19 (0.42) PPARGCYP2C19PPARDSMN1; SMN2ACP3
SCHEMBL8992166 0.79 ACP3 (0.48) CYP2C19HDAC8HDAC6ACP3MCL1
SCHEMBL8923313 0.74 FNTA (0.40) HDAC8HDAC6MCL1ACMSDCHRNB4
SCHEMBL8925292 0.72 PPARG (0.39) PPARGPPARACYP2C19CYP2C9PPARD
SCHEMBL8992172 0.69 PGK1 (0.53) CYP2C19HDAC8HDAC6ACP3MCL1
SCHEMBL28509160 0.67 CYP2C19 (0.68) CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL28011513 0.67 PPARG (0.54) PPARGPPARACYP2C19CYP2C9PPARD
Phosphoric Acid SCHEMBL27806338 0.66 MCL1 (0.53) PPARGPPARACYP2C19CYP2C9PPARD

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-5668121-A Glutamate (NMDA) receptor antagonists WARNER-LAMBERT COMPANY (US) 1997-09-16 — — US disclosed
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