SCHEMBL9445924

SCHEMBL9445924

CCOP(=O)(Cc1ccccc1CNCC(=O)OC)OCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ EGFR P00533 2/20 0.40
▸ PDCD1 Q15116 2/20 0.37
▸ CD274 Q9NZQ7 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PPID Q08752 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTT P42858 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
SCHEMBL9445980 0.81 HPGD (0.39) EGFRMAPTPPIDALDH1A1CCNT1
SCHEMBL9445917 0.79 HDAC1 (0.41) EGFRPDCD1CD274PPIDALDH1A1
SCHEMBL702504 0.79 NPSR1 (0.47) TSHREGFRPOLBMAPTMAPK1
SCHEMBL9446006 0.76 MAPT (0.39) TSHREGFRPOLBMAPTMAPK1
SCHEMBL9446002 0.76 MAPT (0.39) TSHREGFRPOLBMAPTMAPK1
SCHEMBL3312130 0.75 ALDH1A1 (0.48) TSHRPDCD1CD274POLBALDH1A1
SCHEMBL914622 0.74 ALDH1A1 (0.51) TSHREGFRPOLBALDH1A1KDM4E
SCHEMBL1279543 0.73 TSHR (0.60) TSHREGFRKDM4E
SCHEMBL12212067 0.73 NPSR1 (0.42) TSHREGFRPOLBMAPTMAPK1
SCHEMBL9448847 0.72 MAPT (0.43) EGFRPOLBMAPTMAPK1NPSR1

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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