SCHEMBL9766250

SCHEMBL9766250

C=C(C)[C@@H]1C[C@@H](O)C(C)[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GRIK1 P39086 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ GRIA3 P42263 1/20 0.33
▸ GRIA4 P48058 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ GRIK2 Q13002 1/20 0.33
▸ GRIK3 Q13003 1/20 0.33
▸ GRIK4 Q16099 1/20 0.33
▸ GRIK5 Q16478 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
SCHEMBL24483227 0.80 CYP2C19 (0.37) —
SCHEMBL5362897 0.72 CES2 (0.44) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL13867207 0.68 POLB (0.39) ALDH1A1LMNAMAPK1SLC1A2CES2
SCHEMBL28942387 0.68 SLC1A2 (0.39) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL28034135 0.68 POLB (0.42) MEN1KMT2AALDH1A1LMNASLC1A2
SCHEMBL12166803 0.67 TRPA1 (0.30) —
SCHEMBL24483514 0.67 GLB1 (0.33) —
SCHEMBL15514086 0.66 POLB (0.41) ALDH1A1LMNATSHRSLC1A2THPO
SCHEMBL2528839 0.66 POLB (0.41) MEN1KMT2AALDH1A1LMNASLC1A2
SCHEMBL8465943 0.65 TP53 (0.33) TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3002133-A — — None — — JP disclosed
JP-H032133-A CYCLOPENTANE DERIVATIVE AND ANTIPODE THEREOF HORIUCHIITAROU SHOTEN:KK 1991-01-08 — — JP disclosed
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