SCHEMBL9303848

SCHEMBL9303848

CC(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
ITGB1 P05556 4/20 0.50
ITGA4 P13612 3/20 0.50
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
PTGS2 P35354 1/20 0.46
THPO P40225 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
ITGB2 P05107 2/20 0.45
ICAM1 P05362 2/20 0.45
ITGAL P20701 2/20 0.45
ALDH1A1 P00352 2/20 0.44
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43

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
SCHEMBL10477507 0.84 TACR1 (0.46) L3MBTL1THRBLMNAALDH1A1TACR1
SCHEMBL38327 0.83 L3MBTL1 (0.49) L3MBTL1ITGB1ITGA4MAPTPTGS2
Afalanine SCHEMBL9603419 0.83 L3MBTL1 (0.69) L3MBTL1ITGB1ITGA4LMNAGNPAT
SCHEMBL18655444 0.82 LMNA (0.45) L3MBTL1ITGB1ITGA4KDM4EMAPT
SCHEMBL8815317 0.82 L3MBTL1 (0.52) L3MBTL1ITGB1ITGA4KDM4EMAPT
SCHEMBL10477404 0.79 ACE (0.56) L3MBTL1ITGB1ITGB3ITGA2BCTSS
SCHEMBL18659591 0.78 ALOX15 (0.43) L3MBTL1ITGB1ITGA4KDM4EMAPT
Acetylleucine SCHEMBL9595190 0.78 ALDH1A1 (0.69) LMNAALDH1A1
SCHEMBL9595472 0.78 L3MBTL1 (0.44) L3MBTL1ITGB1ITGA4KDM4EMAPT
Afalanine SCHEMBL331330 0.77 CTSS (0.65) L3MBTL1LMNAGNPATCTSSCTSK

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-5364850-A Analgesics G. D. SEARLE & CO. (US) 1994-11-15 US disclosed
US-5272175-A Substituted tyrosyl diamide compounds G. D. SEARLE & CO. (US) 1993-12-21 US disclosed