SCHEMBL537275

SCHEMBL537275

CCN(CC)c1ccc(Cc2ccccc2C(=O)O)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 4/20 0.49
GAA P10253 3/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.49
MAPT P10636 6/20 0.45
HPGD P15428 3/20 0.45
EGFR P00533 1/20 0.45
LCK P06239 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 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
SCHEMBL29168476 0.87 ALDH1A1 (0.67) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11442028 0.86 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3825706 0.84 HSPA5 (0.53) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2472187 0.82 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6364577 0.81 TSHR (0.54) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL537276 0.79 MEN1 (0.68) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL39206 0.78 KMT2A (1.00) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4558308 0.78 MEN1 (0.62) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL503775 0.78 MEN1 (0.75) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4731949 0.76 HSPA5 (0.64) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E

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
EP-2413691-A2 METHOD FOR REDUCING SUNBURN DAMAGE IN PLANTS BASF SE (DE) 2012-02-08 EP claimed
WO-2010115721-A2 METHOD FOR REDUCING SUNBURN DAMAGE IN PLANTS BASF SE (DE) 2010-10-14 WO claimed