SCHEMBL9402452

SCHEMBL9402452

O=C1CC(=Cc2c[nH]c3ccccc23)C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ MAOB P27338 1/20 0.55
▸ HPGD P15428 3/20 0.54
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ CYP2A6 P11509 1/20 0.50
▸ IMPDH2 P12268 1/20 0.50
▸ ACHE P22303 1/20 0.49
▸ MIF P14174 1/20 0.48
▸ NTRK1 P04629 2/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ ABL1 P00519 1/20 0.47

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
SCHEMBL9402446 1.00 MAPT (0.61) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5604228 0.75 ALDH1A1 (0.76) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5605289 0.75 ALDH1A1 (0.76) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5604224 0.75 ALDH1A1 (0.76) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7328464 0.74 ALDH1A1 (0.49) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7328466 0.74 ALDH1A1 (0.49) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL9740855 0.74 ALDH1A1 (0.49) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8171751 0.73 MAPT (0.61) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8171749 0.72 KDM4E (0.59) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL28138472 0.71 KDM4E (0.62) MAPTALDH1A1KDM4EMEN1KMT2A

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
US-5334606-A Analgesics, antiinflammatory agents MERCK SHARPE & DOHME LTD. (GB) 1994-08-02 — — US disclosed
EP-0545478-A1 Heterocyclic compounds as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 1993-06-09 — — EP disclosed
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