SCHEMBL6138017

SCHEMBL6138017

C[C@@H](O)[C@H](NC(=O)CCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.55
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HDAC1 Q13547 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
CNR2 P34972 1/20 0.49
HDAC3 O15379 1/20 0.49
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL6446379 0.89 ALDH1A1 (0.56) HDAC2HDAC8HDAC6SMN1; SMN2RAB9A
SCHEMBL5711363 0.89 ALDH1A1 (0.56) HDAC2HDAC8HDAC6SMN1; SMN2RAB9A
SCHEMBL21914920 0.88 HDAC2 (0.50) HDAC2HDAC8HDAC6SMN1; SMN2RAB9A
SCHEMBL20385953 0.88 HDAC2 (0.50) HDAC2HDAC8HDAC6SMN1; SMN2RAB9A
SCHEMBL8085372 0.85 SMN1; SMN2 (0.57) HDAC2HDAC8HDAC6SMN1; SMN2RAB9A
SCHEMBL8089676 0.85 SMN1; SMN2 (0.57) HDAC2HDAC8HDAC6SMN1; SMN2RAB9A
SCHEMBL16114948 0.84 POLB (0.58) MMEHDAC8HDAC6ALDH1A1MAPT
SCHEMBL10417010 0.84 POLB (0.58) MMEHDAC8HDAC6ALDH1A1MAPT
SCHEMBL6138092 0.84 POLB (0.58) MMEHDAC8HDAC6ALDH1A1MAPT
SCHEMBL6138095 0.84 POLB (0.58) MMEHDAC8HDAC6ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047391-A4 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2005-01-19 EP claimed
US-6238655-B1 USEFUL IN THE FORMULATION OF DEODORANTS, ANTIPERSPIRANTS, BODY SPRAYS, AND OTHER SKIN TREATMENT COMPOSITIONS. THE GILLETTE COMPANY 2001-05-29 US claimed
EP-1047391-A1 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 2000-11-02 EP claimed
WO-1999030679-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO claimed
US-6238655-B1 USEFUL IN THE FORMULATION OF DEODORANTS, ANTIPERSPIRANTS, BODY SPRAYS, AND OTHER SKIN TREATMENT COMPOSITIONS. THE GILLETTE COMPANY 2001-05-29 US disclosed