SCHEMBL8992169

SCHEMBL8992169

CCC(CC)(c1cc(CBr)cc(-c2cccc3ccccc23)c1)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 7/20 0.40
▸ PPARG P37231 4/20 0.38
▸ PPARA Q07869 4/20 0.38
▸ ACP3 P15309 1/20 0.38
▸ PTPRC P08575 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ GGPS1 O95749 1/20 0.34
▸ MCL1 Q07820 1/20 0.33
▸ ACMSD Q8TDX5 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
SCHEMBL8992302 0.85 PTPN5 (0.41) PTPN5PPARGPPARAACP3PTPRC
SCHEMBL9343945 0.82 PTPN5 (0.46) PTPN5PTPN1GGPS1
SCHEMBL8992166 0.77 ACP3 (0.48) ACP3HDAC8HDAC6CYP2C19MCL1
SCHEMBL9348499 0.75 PTPN5 (0.41) PTPN5ACP3PTPN1GGPS1
SCHEMBL9445936 0.75 PGK1 (0.45) PTPN5ACP3PTPN1CYP2C19GGPS1
SCHEMBL8923042 0.74 PPARG (0.38) PPARGPPARAACP3HDAC8HDAC6
SCHEMBL8923313 0.72 FNTA (0.40) HDAC8HDAC6MCL1ACMSD
SCHEMBL8923039 0.71 PPARG (0.37) PPARGPPARAHDAC8HDAC6CYP2C9
SCHEMBL3346090 0.69 ACP3 (0.61) ACP3PTPRCPTPN1
SCHEMBL9445920 0.68 PTPN1 (0.39) PTPRCPTPN1

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-5489717-A Glutamate (NMDA) receptor antagonists WARNER-LAMBERT COMPANY 1996-02-06 — — US claimed
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