SCHEMBL9792186

SCHEMBL9792186

COc1ccc(C(=O)c2ccc(Cl)n2CCC2C(=O)OC(C)(C)OC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
GLA P06280 1/20 0.47
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
HIF1A Q16665 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.38
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
PRTN3 P24158 1/20 0.37
TSHR P16473 1/20 0.37
VNN1 O95497 1/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL9792244 0.87 MDM2 (0.35) NPSR1GLAALDH1A1LMNAMAPT
SCHEMBL9688851 0.82 NPSR1 (0.48) NPSR1GLAALDH1A1ALOX15LMNA
SCHEMBL9792235 0.82 CNR2 (0.33) NPSR1GLAALDH1A1L3MBTL1MAPT
SCHEMBL9792269 0.81 HTT (0.40) NPSR1GLALMNAHPGDHTT
SCHEMBL9792291 0.80 MEN1 (0.35) ALDH1A1HPGDVNN1KMT2A
SCHEMBL9792298 0.79 GLA (0.32) NPSR1GLA
SCHEMBL9792243 0.78 HPGD (0.36) ALDH1A1ALOX15LMNAL3MBTL1MAPT
SCHEMBL11060460 0.78 HTT (0.38) LMNAL3MBTL1MAPTHTTKMT2A
SCHEMBL9792309 0.77 GLA (0.30) NPSR1GLA
SCHEMBL9792202 0.77 SMN1; SMN2 (0.46) NPSR1GLAALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988822-A Intermediates for preparing 5-aroyl-1,2-dihydro-3H-pyrrolo(1,2-A)pyrrole-1,1-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1991-01-29 US disclosed
US-4873340-A Process for preparing 5-aroyl-1,2-dihydro-3H-pyrrolo[1,2-A]pyrrole-1,1-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1989-10-10 US disclosed