SCHEMBL11285673

SCHEMBL11285673

C=CCn1ccc(C(=O)O)c1CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
NPC1 O15118 8/20 0.35
KMT2A Q03164 6/20 0.35
RAB9A P51151 7/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.33
NSD2 O96028 1/20 0.33
GRK2 P25098 1/20 0.33
CASP6 P55212 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL9672986 0.77 NOTUM (0.32) NOTUMPOLBNSD2GRK2CASP6
SCHEMBL7109188 0.74 NPC1 (0.43) NOTUMNPC1KMT2ARAB9AMEN1
SCHEMBL3988622 0.70 NOTUM (0.38) NOTUMKMT2AMEN1POLBNSD2
SCHEMBL7963893 0.70 PTGS1 (0.43) NPC1KMT2ARAB9AMEN1POLB
SCHEMBL25282089 0.70 KMT2A (0.45) NPC1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL5056802 0.69 NPC1 (0.60) NPC1KMT2ARAB9AMEN1POLB
SCHEMBL7679127 0.69 KMT2A (0.41) NPC1KMT2ARAB9AMEN1POLB
SCHEMBL9748012 0.68 ALDH1A1 (0.40) NPC1KMT2ARAB9AMEN1POLB
SCHEMBL4739140 0.66 KMT2A (0.45) NPC1KMT2ARAB9AMEN1POLB
SCHEMBL31154491 0.66 FPR2 (0.39) L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4363918-A Method of preparing 1-alkyl-3-carboxy-1H pyrrole-2-acetic acids JANSSEN PHARMACEUTICA N.V. (BE) 1982-12-14 US claimed
US-4363918-A Method of preparing 1-alkyl-3-carboxy-1H pyrrole-2-acetic acids JANSSEN PHARMACEUTICA N.V. (BE) 1982-12-14 US disclosed
US-4363918-A Method of preparing 1-alkyl-3-carboxy-1H pyrrole-2-acetic acids JANSSEN PHARMACEUTICA N.V. (BE) 1982-12-14 US disclosed
US-4363918-A Method of preparing 1-alkyl-3-carboxy-1H pyrrole-2-acetic acids JANSSEN PHARMACEUTICA N.V. (BE) 1982-12-14 US disclosed