SCHEMBL29009183

SCHEMBL29009183

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 3/20 0.45
GAA P10253 2/20 0.45
CCR1 P32246 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL29009167 0.89 ALOX15 (0.50) ALOX15SMN1; SMN2RXFP1GAACCR1
SCHEMBL29009151 0.79 ALDH1A1 (0.45) RXFP1KMT2AALDH1A1KDM4EMEN1
SCHEMBL29009191 0.72 RXFP1 (0.47) ALOX15SMN1; SMN2RXFP1GAAKMT2A
SCHEMBL29009201 0.70 ALDH1A1 (0.49) GAACA1CA2KMT2AALDH1A1
SCHEMBL12259135 0.69 SMN1; SMN2 (0.60) ALOX15SMN1; SMN2RXFP1CCR1L3MBTL1
SCHEMBL14987372 0.68 TSHR (0.75) SMN1; SMN2GAACA1CA2ALDH1A1
SCHEMBL29009185 0.66 ALDH1A1 (0.50) GAACA1CA2KMT2AALDH1A1
SCHEMBL29009197 0.64 CHRNA7 (0.52) ALOX15SMN1; SMN2KMT2A
SCHEMBL13727000 0.63 CA1 (0.41) SMN1; SMN2L3MBTL1CA1CA2KMT2A
SCHEMBL11817128 0.63 KDM4E (0.76) SMN1; SMN2GAAKMT2AALDH1A1KDM4E

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