SCHEMBL29009167

SCHEMBL29009167

COC(=O)C1=C(OC)C(c2ccc(OC)cc2)N(C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
RXFP1 Q9HBX9 3/20 0.42
CCR1 P32246 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
OPRK1 P41145 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL29009183 0.89 ALOX15 (0.48) ALOX15SMN1; SMN2GAACA1CA2
SCHEMBL29009151 0.87 ALDH1A1 (0.45) RXFP1KMT2AALDH1A1LMNAKDM4E
SCHEMBL29009185 0.71 ALDH1A1 (0.50) GAACA1CA2KMT2AALDH1A1
SCHEMBL14987372 0.70 TSHR (0.75) SMN1; SMN2GAACA1CA2POLB
SCHEMBL12259135 0.68 SMN1; SMN2 (0.60) ALOX15SMN1; SMN2RXFP1CCR1L3MBTL1
SCHEMBL29009201 0.67 ALDH1A1 (0.49) GAACA1CA2KMT2AALDH1A1
SCHEMBL29009197 0.66 CHRNA7 (0.52) ALOX15SMN1; SMN2KMT2AOPRK1
SCHEMBL13727000 0.65 CA1 (0.41) SMN1; SMN2CA1CA2POLBL3MBTL1
SCHEMBL11817128 0.65 KDM4E (0.76) SMN1; SMN2GAAPOLBKMT2AALDH1A1
SCHEMBL19112883 0.64 POLB (0.56) SMN1; SMN2CA1CA2POLBKMT2A

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
CN-116217458-A 2-carbonyl-5-phenylpyrrole compound, preparation method, application and derivative thereof, and pharmaceutical composition 湖北民族大学 2023-06-06 CN disclosed