SCHEMBL18685992

SCHEMBL18685992

Cc1cc(CC(=O)O)c(C)c(CC(=O)O)c1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
ALOX15 P16050 2/20 0.42
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SRC P12931 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 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
SCHEMBL25949658 0.81 PTGS1 (0.42) PTGS1NPSR1ALOX15MAPTKDM4E
SCHEMBL30990555 0.79 ALOX15 (0.49) PTGS1NPSR1ALOX15MAPTPOLB
SCHEMBL1259129 0.79 ALOX15 (0.49) PTGS1NPSR1ALOX15MAPTPOLB
SCHEMBL11325941 0.78 NPSR1 (0.60) PTGS1NPSR1ALOX15MAPTKDM4E
Phosphine SCHEMBL28245494 0.78 ALOX15 (0.47) PTGS1NPSR1ALOX15MAPTPOLB
Ammonia Solution, Strong SCHEMBL28842319 0.78 ALOX15 (0.47) PTGS1NPSR1ALOX15MAPTPOLB
SCHEMBL1259463 0.75 KDM4E (0.42) PTGS1NPSR1ALOX15MAPTKDM4E
SCHEMBL509440 0.74 KDM4E (0.58) NPSR1ALOX15MAPTKDM4EPOLB
SCHEMBL11747281 0.74 NPSR1 (0.56) PTGS1NPSR1ALOX15MAPTPOLB
SCHEMBL1257801 0.74 KDM4E (0.44) PTGS1NPSR1ALOX15MAPTKDM4E

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-2994505-B1 A PROCESS FOR DEPOLYMERIZATION OF LIGNIN COUNCIL SCIENT IND RES (IN) 2017-04-05 EP claimed