SCHEMBL9689319

SCHEMBL9689319

CCOC(=O)C(CCn1cccc1C(=O)c1ccco1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
ABL1 P00519 1/20 0.39
F2 P00734 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
RIN1 Q13671 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL9688171 0.89 PADI1 (0.41) TSHRALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL9689107 0.82 TDP1 (0.41) TSHRALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL9688628 0.81 ALDH1A1 (0.52) TSHRALDH1A1L3MBTL1TDP1NPC1
SCHEMBL9688728 0.80 MAPK1 (0.38) TSHRALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL9689342 0.78 ALDH1A1 (0.43) TSHRALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL9688014 0.77 NPC1 (0.47) TSHRALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL9689730 0.77 ALDH1A1 (0.45) TSHRALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL9687989 0.76 ELANE (0.38) TSHRALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL9689977 0.76 TDP1 (0.36) TSHRALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL9689991 0.76 ALDH1A1 (0.44) TSHRALDH1A1TDP1MAPTKMT2A

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