SCHEMBL9688067

SCHEMBL9688067

COC(=O)C(CCn1cccc1C(=S)c1ccc(C)cc1)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
ALOX12 P18054 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 3/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CYP2C9 P11712 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL9689254 0.91 MEN1 (0.43) KDM4ETDP1KMT2AALDH1A1MEN1
SCHEMBL9792207 0.78 L3MBTL1 (0.39) KDM4ETDP1KMT2AALDH1A1MAPT
SCHEMBL9690049 0.78 ALDH1A1 (0.39) KDM4EKMT2AALDH1A1MAPTALOX12
SCHEMBL9690007 0.78 RECQL (0.54) KMT2AALDH1A1MAPTALOX12NPC1
SCHEMBL9687969 0.77 NPC1 (0.52) KMT2AALDH1A1MAPTALOX12NPC1
SCHEMBL9689112 0.76 NPC1 (0.40) KDM4ETDP1KMT2AALDH1A1MAPT
SCHEMBL9690017 0.75 ALDH1A1 (0.35) KDM4EKMT2AALDH1A1NPC1RAB9A
SCHEMBL9688726 0.75 ALDH1A1 (0.35) KDM4EKMT2AALDH1A1MAPTNPC1
SCHEMBL9688717 0.75 HDAC8 (0.38) KDM4EKMT2AALDH1A1MAPTNPC1
SCHEMBL9687966 0.74 TAS1R3 (0.42) KMT2AALDH1A1MAPTALOX12NPC1

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