SCHEMBL9446006

SCHEMBL9446006

CCOP(=O)(Cc1ccccc1CNC(C)C(=O)OC)OCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL9446002 1.00 MAPT (0.39) MAPTL3MBTL1EGFRTSHRALDH1A1
SCHEMBL9445912 0.80 MEN1 (0.48) MAPTL3MBTL1ALDH1A1SCN9A
SCHEMBL9445914 0.80 MEN1 (0.48) MAPTL3MBTL1ALDH1A1SCN9A
SCHEMBL702504 0.77 NPSR1 (0.47) MAPTEGFRTSHRKDM4EHPGD
SCHEMBL9445924 0.76 TSHR (0.46) MAPTEGFRTSHRALDH1A1KDM4E
SCHEMBL9448847 0.76 MAPT (0.43) MAPTEGFRSMN1; SMN2MAPK1HTT
SCHEMBL9445932 0.73 NPSR1 (0.41) MAPTEGFRTSHRKDM4EHPGD
SCHEMBL10348806 0.72 KMT2A (0.45) MAPTEGFRTSHRSMN1; SMN2MAPK1
SCHEMBL914622 0.72 ALDH1A1 (0.51) EGFRTSHRALDH1A1KDM4EHTT
SCHEMBL23257604 0.71 MAPT (0.43) MAPTL3MBTL1TSHRALDH1A1KDM4E

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-5179085-A Cerebrovascular disorders WARNER-LAMBERT COMPANY (US) 1993-01-12 — — US disclosed
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