SCHEMBL10348806

SCHEMBL10348806

CCOP(=O)(Cc1ccccc1CC(C(=O)O)C(=O)O)OCC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ FPR2 P25090 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL702504 0.83 NPSR1 (0.47) MAPTMAPK1POLBNPSR1NR1I2
SCHEMBL9448847 0.82 MAPT (0.43) MAPTMAPK1POLBNPSR1NR1I2
SCHEMBL915187 0.78 FOLH1 (0.45) MAPTMAPK1POLBNPSR1NR1I2
SCHEMBL12212067 0.77 NPSR1 (0.42) MAPTMAPK1POLBNPSR1NR1I2
SCHEMBL8671766 0.76 MAPT (0.42) KMT2AMAPTMAPK1POLBNPSR1
SCHEMBL9197005 0.76 KMT2A (0.60) KMT2APOLB
SCHEMBL339745 0.76 TSHR (0.54) KMT2AMAPTMAPK1POLBNPSR1
SCHEMBL9445932 0.76 NPSR1 (0.41) MAPTMAPK1POLBNPSR1NR1I2
SCHEMBL9849219 0.76 NPSR1 (0.41) MAPTMAPK1POLBNPSR1NR1I2
SCHEMBL31733655 0.75 MAPT (0.51) KMT2AMAPTMAPK1POLBNPSR1

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
EP-0364996-A2 Phosphono-hydroisoquinoline compounds useful in reducing neurotoxic injury G.D. Searle & Co. (US) 1990-04-25 — — EP disclosed
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