SCHEMBL11199867

SCHEMBL11199867

COC(=O)c1[nH]cc(C=O)c1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 8/20 0.38
ERN1 O75460 2/20 0.37
RAB9A P51151 5/20 0.37
POLB P06746 1/20 0.37
NR4A2 P43354 1/20 0.36
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3030787 0.83 ALDH1A1 (0.50) ALDH1A1RAB9APOLBKDM4ECYP1A2
SCHEMBL3024207 0.81 PIM1 (0.41) PIM1PIM3ALDH1A1ERN1RAB9A
SCHEMBL11287001 0.77 NR4A2 (0.41) NPSR1ALDH1A1POLBNR4A2MAPT
SCHEMBL4046793 0.76 NR4A2 (0.47) NR4A2
SCHEMBL26113851 0.74 NPSR1 (0.37) NPSR1ALDH1A1POLBNR4A2KDM4E
SCHEMBL21561526 0.74 TDP1 (0.38) NPSR1RAB9APOLBNR4A2MAPT
SCHEMBL3627973 0.74 ALDH1A1 (0.40) NPSR1ALDH1A1NR4A2MAPTKDM4E
SCHEMBL6022276 0.73 NR4A2 (0.41) NR4A2
SCHEMBL11201376 0.73 NPSR1 (0.43) NPSR1NR4A2
Hydrochloric Acid SCHEMBL3113133 0.73 ALDH1A1 (0.39) NPSR1ALDH1A1NR4A2MAPTKDM4E

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-0068460-A1 Tricyclic derivatives of substituted pyrrole acids as analgesic and anti-inflammatory agents MERCK & CO. INC. (US) 1983-01-05 EP disclosed