SCHEMBL9689245

SCHEMBL9689245

COC(=O)C(CCn1cccc1C(=O)c1cccs1)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
TSHR P16473 7/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BAP1 Q92560 1/20 0.38

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
SCHEMBL9689342 0.89 ALDH1A1 (0.43) HPGDTSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9689149 0.82 LMNA (0.39) TSHRCYP3A4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9689112 0.82 NPC1 (0.40) HPGDALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL9690007 0.81 RECQL (0.54) TSHRCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9689339 0.81 MEN1 (0.36) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9792318 0.80 HPGD (0.45) HPGDTSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9687969 0.78 NPC1 (0.52) ALDH1A1SMN1; SMN2KMT2ARAB9AMAPT
SCHEMBL9688171 0.77 PADI1 (0.41) HPGDTSHRCYP1A2CYP3A4CYP2C19
SCHEMBL11088045 0.77 HPGD (0.43) HPGDTSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9690049 0.76 ALDH1A1 (0.39) TSHRALDH1A1L3MBTL1KMT2ARAB9A

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
EP-0486807-A1 Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1992-05-27 EP disclosed
US-5082951-A Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates (I) and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1992-01-21 US disclosed