SCHEMBL10018100

SCHEMBL10018100

C=C(C)C(=O)CCNC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 2/20 0.39
TSHR P16473 4/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 1/20 0.32
ACHE P22303 1/20 0.31
MEN1 O00255 1/20 0.30
HSP90AA1 P07900 1/20 0.30
KMT2A Q03164 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL20110291 0.81 ACHE (0.35) ALDH1A1ACHE
SCHEMBL21845015 0.80 KDM4E (0.48) ALDH1A1TSHRMTNR1AMTNR1BKMT2A
SCHEMBL13205118 0.78 PLA2G2A (0.36) ALDH1A1
SCHEMBL12587296 0.78 TSHR (0.50) ALDH1A1TSHRACHE
SCHEMBL5949703 0.78 EPHX1 (0.50) EPHX1ALDH1A1TSHRACHEMEN1
SCHEMBL9011086 0.77 TDP1 (0.40) ALDH1A1
SCHEMBL9473136 0.75 KEAP1 (0.37) EPHX1ALDH1A1MTNR1AMTNR1BKMT2A
SCHEMBL16114457 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9676993 0.75 ACHE (0.63) EPHX1TSHRACHE
SCHEMBL3190326 0.74 EPHX1 (0.61) EPHX1ALDH1A1TSHRACHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120012366-A1 POLYAMIC ACID, POLYIMIDE, PHOTOSENSITIVE RESIN COMPOSITION COMPRISING THE SAME, AND DRY FILM MANUFACTURED FROM THE SAME LG CHEM, LTD. (KR) 2012-01-19 US disclosed
US-20120012366-A1 POLYAMIC ACID, POLYIMIDE, PHOTOSENSITIVE RESIN COMPOSITION COMPRISING THE SAME, AND DRY FILM MANUFACTURED FROM THE SAME LG CHEM, LTD. (KR) 2012-01-19 US disclosed
US-20110200939-A1 POLYAMIC ACID, POLYIMIDE, PHOTOSENSITIVE RESIN COMPOSITION COMPRISING THE SAME AND DRY FILM MANUFACTURED BY THE SAME LG CHEM, LTD. (KR) 2011-08-18 US disclosed
US-20110200939-A1 POLYAMIC ACID, POLYIMIDE, PHOTOSENSITIVE RESIN COMPOSITION COMPRISING THE SAME AND DRY FILM MANUFACTURED BY THE SAME LG CHEM, LTD. (KR) 2011-08-18 US disclosed