SCHEMBL9689342

SCHEMBL9689342

CCOC(=O)C(CCn1cccc1C(=O)c1cccs1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
TSHR P16473 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 7/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
RORC P51449 1/20 0.40
NPSR1 Q6W5P4 4/20 0.39
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
BAP1 Q92560 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL9689245 0.89 HPGD (0.46) ALDH1A1TSHRSMN1; SMN2HPGDRAB9A
SCHEMBL9689977 0.84 TDP1 (0.36) ALDH1A1TSHRSMN1; SMN2RORCTDP1
SCHEMBL9689107 0.83 TDP1 (0.41) ALDH1A1TSHRSMN1; SMN2RAB9ANPC1
SCHEMBL9688628 0.81 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2RAB9ANPC1
SCHEMBL9687989 0.81 ELANE (0.38) ALDH1A1TSHRHPGDKDM4ETDP1
SCHEMBL9689319 0.78 TSHR (0.43) ALDH1A1TSHRSMN1; SMN2HPGDRAB9A
SCHEMBL9688014 0.78 NPC1 (0.47) ALDH1A1TSHRSMN1; SMN2RAB9ANPC1
SCHEMBL9689730 0.78 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2HPGDRAB9A
SCHEMBL9687992 0.76 ALDH1A1 (0.39) ALDH1A1TSHRTDP1MAPTMAPK1
SCHEMBL9689183 0.75 GSK3B (0.47) ALDH1A1TSHRSMN1; SMN2HPGDRAB9A

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