SCHEMBL8337939

SCHEMBL8337939

NC(=O)C(CCN1CCOCC1)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
USP2 O75604 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 5/20 0.47
LMNA P02545 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
HPGD P15428 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
TACR2 P21452 1/20 0.44

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
Hydrochloric Acid SCHEMBL8843289 0.89 POLB (0.54) POLBUSP2HTTALDH1A1LMNA
SCHEMBL8843510 0.85 HTR1A (0.40) POLBKMT2A
SCHEMBL7287015 0.80 TACR2 (0.54) POLBALDH1A1LMNAKMT2AHPGD
SCHEMBL30882632 0.78 MASP2 (0.59) ALDH1A1LMNAMAPTHPGD
SCHEMBL15669228 0.75 TLR2 (0.43) ALDH1A1
SCHEMBL15669229 0.75 TLR2 (0.43) ALDH1A1
SCHEMBL8337943 0.75 HTT (0.52) POLBUSP2HTTALDH1A1LMNA
SCHEMBL22322972 0.75 ALDH1A1 (0.54) HTTALDH1A1LMNACYP2C19MAPT
SCHEMBL8843457 0.75 GAA (0.41) ALDH1A1LMNAMAPTHPGD
SCHEMBL6428465 0.75 ALDH1A1 (0.55) POLBALDH1A1LMNAKMT2ATACR2

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-5948780-A ADMINISTERING A METALLOPROTEINASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-09-07 US disclosed
US-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed