SCHEMBL6670487

SCHEMBL6670487

CC(=O)N[CH]c1ccc(C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
CYP2A6 P11509 4/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
KDM4E B2RXH2 2/20 0.41
TYR P14679 1/20 0.40
CYP2A13 Q16696 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ALDH1A3 P47895 2/20 0.38
ALDH3A1 P30838 1/20 0.38
EGFR P00533 2/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL60234 0.80 AKR1C3 (0.48) ALDH1A1HSD17B10KMT2A
SCHEMBL743446 0.78 HDAC8 (0.45) KDM4EKMT2A
SCHEMBL9199658 0.76 CES2 (0.39) ALDH1A1KDM4EKMT2A
SCHEMBL295483 0.75 CYP4A11 (0.50) KDM4E
SCHEMBL201938 0.74 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10KMT2A
Ammonia Solution, Strong SCHEMBL7802754 0.72 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL5556185 0.72 ALDH1A1 (0.46) ALDH1A1KDM4ETYRHSD17B10KMT2A
SCHEMBL7538748 0.71 ALDH1A1 (0.55) ALDH1A1CYP2A6ALDH5A1ABATKDM4E
SCHEMBL97268 0.70 ALDH1A1 (0.62) ALDH1A1CYP2A6ALDH5A1ABATKDM4E
SCHEMBL3113924 0.69 KMT2A (0.59) ALDH1A1KDM4EKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457210-A1 REMEDIES AND/OR PREVENTIVES FOR CONFORMATIONAL DISEASES Itoham Foods Inc. (JP) 2004-09-15 EP disclosed
US-20040132648-A1 Remedies and/or preventives for conformational diseases ITOHAM FOODS INC. (JP) 2004-07-08 US disclosed
WO-1999064056-A9 USE OF A CYTOKINE REGULATORY AGENT TO TREAT ASTHMA TREGA BIOSCIENCES INC (US) 2000-02-10 WO disclosed
WO-1999064056-A1 USE OF A CYTOKINE REGULATORY AGENT TO TREAT ASTHMA TREGA BIOSCIENCES, INC. (US) 1999-12-16 WO disclosed
US-5741774-A Use of a cytokine regulatory agent to treat rheumatoid arthritis TREGA BIOSCIENCES, INC. (US) 1998-04-21 US disclosed
WO-1998013060-A1 USE OF A CYTOKINE REGULATORY AGENT TO TREAT RHEUMATOID ARTHRITIS TREGA BIOSCIENCES, INC. (US) 1998-04-02 WO disclosed
WO-1998013032-A1 COMPOSITIONS OF THERAPEUTIC AGENTS SUITABLE FOR ORAL ADMINISTRATION TREGA BIOSCIENCES, INC. (US) 1998-04-02 WO disclosed