SCHEMBL7635145

SCHEMBL7635145

CC(C(=O)O)C(C)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.56
LMNA P02545 4/20 0.56
HTT P42858 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.53
PTGS2 P35354 1/20 0.53
PDCD1 Q15116 1/20 0.53
CD274 Q9NZQ7 1/20 0.53
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46

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
SCHEMBL8531872 0.88 LMNA (0.51) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL6403050 0.88 LMNA (0.51) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL6975810 0.82 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL2625198 0.82 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL13039632 0.81 LMNA (0.56) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL11633473 0.78 CES2 (0.46) SMN1; SMN2LMNAALDH1A1MAPTCYP1A2
SCHEMBL8995348 0.78 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL11361358 0.78 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL17973359 0.78 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL1928398 0.78 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790974-B1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER AG (US) 2002-08-14 EP claimed