SCHEMBL4646983

SCHEMBL4646983

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 6/20 0.52
LMNA P02545 5/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.47
APP P05067 1/20 0.46
GAA P10253 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
SCHEMBL4644305 0.88 L3MBTL1 (0.56) ALDH1A1L3MBTL1KMT2ALMNACYP1A2
SCHEMBL4641797 0.83 ALDH1A1 (0.62) ALDH1A1L3MBTL1KMT2ALMNACYP1A2
SCHEMBL4996696 0.81 ALDH1A1 (0.64) ALDH1A1L3MBTL1KMT2ALMNACYP1A2
SCHEMBL4647393 0.80 LMNA (0.50) ALDH1A1KMT2ALMNACYP1A2TSHR
SCHEMBL2491556 0.80 ALDH1A1 (0.71) ALDH1A1L3MBTL1KMT2ALMNACYP1A2
SCHEMBL31648307 0.80 ALDH1A1 (0.71) ALDH1A1L3MBTL1KMT2ALMNACYP1A2
SCHEMBL30659698 0.80 ALDH1A1 (0.71) ALDH1A1L3MBTL1KMT2ALMNACYP1A2
Hydrochloric Acid SCHEMBL27579225 0.80 ALDH1A1 (0.62) ALDH1A1L3MBTL1KMT2ALMNACYP1A2
SCHEMBL5340249 0.80 ALDH1A1 (0.57) ALDH1A1L3MBTL1KMT2ALMNACYP1A2
Ammonia Solution, Strong SCHEMBL28264184 0.78 ALDH1A1 (0.69) ALDH1A1L3MBTL1KMT2ALMNACYP1A2

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 3 patents. 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
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed