SCHEMBL4644305

SCHEMBL4644305

CCC[CH]C(=O)OC(=O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 5/20 0.54
LMNA P02545 5/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 7/20 0.50
MAPT P10636 4/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL4646983 0.88 ALDH1A1 (0.57) L3MBTL1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL4645735 0.82 LMNA (0.51) ALDH1A1LMNACYP1A2CYP2C9TSHR
SCHEMBL4641797 0.80 ALDH1A1 (0.62) L3MBTL1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL4996696 0.79 ALDH1A1 (0.64) L3MBTL1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL23069546 0.78 L3MBTL1 (0.60) L3MBTL1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL31648307 0.78 ALDH1A1 (0.71) L3MBTL1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL2491556 0.78 ALDH1A1 (0.71) L3MBTL1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL30659698 0.78 ALDH1A1 (0.71) L3MBTL1ALDH1A1LMNACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL27579225 0.77 ALDH1A1 (0.62) L3MBTL1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL5340249 0.77 ALDH1A1 (0.57) L3MBTL1ALDH1A1LMNACYP1A2CYP2C9

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-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed