SCHEMBL7047407

SCHEMBL7047407

CC(=O)N[C@@H](CCC(N)=O)C(=O)OCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CACNA1C Q13936 1/20 0.46
SCN9A Q15858 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
TACR1 P25103 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 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
SCHEMBL24978636 0.87 TACR1 (0.56) CA12CA1CA2CA3CA4
SCHEMBL7046063 0.87 TACR1 (0.56) CA12CA1CA2CA3CA4
SCHEMBL7047276 0.86 CTSL (0.49) CA1CA2CACNA1CALDH1A1HPGD
SCHEMBL7046749 0.83 NOD1 (0.53) CTSK
SCHEMBL5178142 0.81 KMT2A (0.52) CA1CA2ALDH1A1HPGDSMN1; SMN2
SCHEMBL21768314 0.80 KMT2A (0.45) CA12CA1CA2CA3CA4
SCHEMBL31216394 0.79 KMT2A (0.44) CA12CA1CA2CA3CA4
SCHEMBL27454713 0.78 TDP1 (0.50) ALDH1A1HPGDSMN1; SMN2NPC1TP53
SCHEMBL23542525 0.78 TDP1 (0.50) ALDH1A1HPGDSMN1; SMN2NPC1TP53
SCHEMBL468766 0.78 L3MBTL1 (0.41) ALDH1A1HPGDSMN1; SMN2L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815833-B1 Malodour preventing agents GIVAUDAN SA (CH) 2003-04-09 EP claimed
US-6150542-A COSMETICS; IN DEODORIZERS, ANTIPERSPIRANTS GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2000-11-21 US claimed
US-5925339-A ODORLESS DEODORANTS AND ANTIPERSPIRANTS GIVAUDAN ROURE SA (CH) 1999-07-20 US claimed
EP-0815833-A2 Malodour preventing agents GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-01-07 EP claimed
EP-0815833-B1 Malodour preventing agents GIVAUDAN SA (CH) 2003-04-09 EP disclosed
US-6150542-A COSMETICS; IN DEODORIZERS, ANTIPERSPIRANTS GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2000-11-21 US disclosed
US-5925339-A ODORLESS DEODORANTS AND ANTIPERSPIRANTS GIVAUDAN ROURE SA (CH) 1999-07-20 US disclosed
EP-0815833-A2 Malodour preventing agents GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-01-07 EP disclosed