SCHEMBL8009713

SCHEMBL8009713

CCOC(=O)CCNC(=O)C=Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
EGFR P00533 1/20 0.62
ALDH1A1 P00352 3/20 0.59
MMP1 P03956 2/20 0.58
MMP2 P08253 2/20 0.58
MMP9 P14780 2/20 0.58
POLB P06746 1/20 0.58
RECQL P46063 1/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HDAC3 O15379 2/20 0.56
NPC1 O15118 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56

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
SCHEMBL8007826 1.00 KMT2A (0.63) KMT2AEGFRALDH1A1MMP1MMP2
SCHEMBL7657230 0.86 PLAAT5 (0.60) KMT2AEGFRALDH1A1RAB9ASMN1; SMN2
SCHEMBL8477845 0.83 KMT2A (0.60) KMT2AEGFRALDH1A1MMP1MMP2
SCHEMBL7654516 0.83 ALDH1A1 (0.52) KMT2AEGFRALDH1A1MMP1MMP2
N-Propylcinnamamide SCHEMBL12224106 0.82 EGFR (0.77) KMT2AEGFRALDH1A1MMP1MMP2
N-Propylcinnamamide SCHEMBL29040560 0.82 EGFR (0.77) KMT2AEGFRALDH1A1MMP1MMP2
N-Propylcinnamamide SCHEMBL28438139 0.82 EGFR (0.77) KMT2AEGFRALDH1A1MMP1MMP2
SCHEMBL1559174 0.82 KMT2A (0.75) KMT2AEGFRALDH1A1MMP1MMP2
SCHEMBL1559175 0.82 KMT2A (0.75) KMT2AEGFRALDH1A1MMP1MMP2
SCHEMBL21593779 0.81 SMN1; SMN2 (0.68) KMT2AEGFRALDH1A1MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6087360-A TREATING PATIENTS WITH ENDOTHELIN RELATED DISORDERS BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-07-11 US claimed
US-5834483-A Method of treating heart failure with endothelin antagonists MERCK & CO., INC. (US) 1998-11-10 US claimed
US-5714479-A TREATMENT OF HYPERTENSION, ACUTE RENAL FAILURE, ANGINA PECTORIS, ARTERIOSCLEROSIS, ASTHMA, GASTRIC ULCER AND SIMILAR AILMENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-03 US claimed
US-6087360-A TREATING PATIENTS WITH ENDOTHELIN RELATED DISORDERS BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-07-11 US disclosed
US-5834483-A Method of treating heart failure with endothelin antagonists MERCK & CO., INC. (US) 1998-11-10 US disclosed
US-5714479-A TREATMENT OF HYPERTENSION, ACUTE RENAL FAILURE, ANGINA PECTORIS, ARTERIOSCLEROSIS, ASTHMA, GASTRIC ULCER AND SIMILAR AILMENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-03 US disclosed