SCHEMBL8992302

SCHEMBL8992302

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 5/20 0.41
▸ PPARG P37231 4/20 0.40
▸ PPARA Q07869 4/20 0.40
▸ ACP3 P15309 2/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PGK1 P00558 1/20 0.36
▸ PGK2 P07205 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ ACMSD Q8TDX5 1/20 0.35
▸ PTPRC P08575 1/20 0.34
▸ PTPN1 P18031 1/20 0.34

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
SCHEMBL8992169 0.85 PTPN5 (0.40) PTPN5PPARGPPARAACP3HDAC8
SCHEMBL8992156 0.80 PTPN5 (0.43) PTPN5PGK1PGK2CYP2C9PTPN1
SCHEMBL8992172 0.74 PGK1 (0.53) ACP3IDH1HDAC8HDAC6PGK1
SCHEMBL30545233 0.73 ENPP3 (0.47) HDAC8HDAC6MCL1ACMSD
SCHEMBL838870 0.73 ENPP3 (0.47) HDAC8HDAC6MCL1ACMSD
Phosphine SCHEMBL28240948 0.72 ENPP3 (0.46) PPARGPPARAHDAC8HDAC6MCL1
SCHEMBL3346090 0.71 ACP3 (0.61) ACP3PGK1PGK2PTPRCPTPN1
SCHEMBL8925299 0.71 PPARG (0.40) PPARGPPARAHDAC8HDAC6CYP2C9
SCHEMBL3357709 0.70 ALDH1A1 (0.47) PPARGPPARAHDAC8HDAC6CYP2C9
SCHEMBL3390400 0.69 PGK1 (0.52) PTPN5ACP3PGK1PGK2PTPRC

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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