SCHEMBL8984850

SCHEMBL8984850

CC(O)Cc1cccc(C(=O)O)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.49
CASP7 P55210 1/20 0.49
CASP6 P55212 1/20 0.49
HMGB1 P09429 1/20 0.42
MMP2 P08253 1/20 0.41
CLCN2 P51788 1/20 0.40
LMNA P02545 2/20 0.39
ABCB11 O95342 1/20 0.39
PTGS1 P23219 1/20 0.39
ADORA1 P30542 1/20 0.39
PTGS2 P35354 1/20 0.39
FOLH1 Q04609 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MYC P01106 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5144397 0.88 G6PD (0.50) G6PDCASP7CASP6HMGB1MMP2
SCHEMBL2302249 0.82 G6PD (0.47) G6PDCASP7CASP6HMGB1MMP2
SCHEMBL29195550 0.81 MAPT (0.41) HMGB1CLCN2FOLH1ALDH1A1ALOX15
SCHEMBL17961587 0.81 FOLH1 (0.43) HMGB1CLCN2LMNAFOLH1ALDH1A1
SCHEMBL30762619 0.80 G6PD (0.57) G6PDCASP7CASP6HMGB1MMP2
SCHEMBL808482 0.80 G6PD (0.57) G6PDCASP7CASP6HMGB1MMP2
SCHEMBL11701728 0.79 G6PD (0.55) G6PDCASP7CASP6HMGB1MMP2
Trimethylammonium SCHEMBL28124204 0.79 FOLH1 (0.41) HMGB1CLCN2LMNAFOLH1ALDH1A1
SCHEMBL7635318 0.79 G6PD (0.51) G6PDCASP7CASP6HMGB1MMP2
SCHEMBL7766574 0.78 KMT2A (0.45) LMNAABCB11PTGS1ADORA1PTGS2

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-0714415-A1 AQUEOUS COPOLYMER DISPERSIONS BASF AKTIENGESELLSCHAFT (DE) 1996-06-05 EP disclosed
WO-1995005402-A1 AQUEOUS COPOLYMER DISPERSIONS BASF AKTIENGESELLSCHAFT (DE) 1995-02-23 WO disclosed