SCHEMBL8992172

SCHEMBL8992172

Cc1cc(CP(=O)(O)O)cc(-c2cccc3ccccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 3/20 0.53
▸ PGK2 P07205 3/20 0.53
▸ ACP3 P15309 4/20 0.48
▸ MEN1 O00255 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MCL1 Q07820 1/20 0.38
▸ ACMSD Q8TDX5 1/20 0.38
▸ IDH1 O75874 1/20 0.38

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
SCHEMBL8992166 0.84 ACP3 (0.48) PGK1PGK2ACP3MEN1ALOX15
SCHEMBL8923313 0.79 FNTA (0.40) TDP1HDAC8HDAC6MCL1ACMSD
SCHEMBL8992581 0.78 PGK1 (0.56) PGK1PGK2HSD17B10
SCHEMBL30545233 0.77 ENPP3 (0.47) HSD17B10HDAC8HDAC6MCL1ACMSD
SCHEMBL838870 0.77 ENPP3 (0.47) HSD17B10HDAC8HDAC6MCL1ACMSD
SCHEMBL30545232 0.77 MEN1 (0.72) MEN1ALOX15CYP2C19KMT2AHSD17B10
SCHEMBL838874 0.77 MEN1 (0.72) MEN1ALOX15CYP2C19KMT2AHSD17B10
Phosphine SCHEMBL28240948 0.76 ENPP3 (0.46) HSD17B10HDAC8HDAC6MCL1ACMSD
SCHEMBL8925299 0.75 PPARG (0.40) CYP2C19TDP1HDAC8HDAC6MCL1
SCHEMBL8992302 0.74 PTPN5 (0.41) PGK1PGK2ACP3CYP2C19HDAC8

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 disclosed
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