SCHEMBL9656322

SCHEMBL9656322

CC(=O)OCCCCCCN(CCCCCCOC(C)=O)c1ccc(C=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
ALDH3A1 P30838 1/20 0.47
ALDH1A3 P47895 1/20 0.47
CYP2A6 P11509 1/20 0.39
CYP2A13 Q16696 1/20 0.39
RAD52 P43351 1/20 0.38
PTGS2 P35354 1/20 0.36
KMT2A Q03164 1/20 0.36
CA2 P00918 1/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
ACHE P22303 3/20 0.34
BCHE P06276 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL14571072 0.94 ALDH1A1 (0.53) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL9482046 0.93 ALDH1A1 (0.47) ALDH1A1ALDH3A1ALDH1A3RAD52MAPT
SCHEMBL7987478 0.88 ALDH1A1 (0.53) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL3038631 0.87 CYP2A6 (0.41) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL13144571 0.85 ALDH1A1 (0.44) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL5689109 0.82 ALDH1A1 (0.59) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL9653053 0.82 RAD52 (0.48) ALDH1A1RAD52PTGS2MTNR1AMTNR1B
SCHEMBL11498536 0.80 RAD52 (0.49) ALDH1A1RAD52PTGS2MTNR1AMTNR1B
SCHEMBL6851329 0.79 ALDH1A1 (0.55) ALDH1A1CYP2A6KMT2ALMNAMAPT
SCHEMBL6850263 0.79 ALDH1A1 (0.55) ALDH1A1CYP2A6KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313474-B1 AN OPTICAL ARTICLE EXHIBITING A HIGH LEVEL OF SECOND ORDER POLARIZATION SUSCEPTIBILITY EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-12-23 EP disclosed
EP-0313476-B1 AN OPTICAL ARTICLE CONTAINING A POLYMERIC MATRIX EXHIBITING A HIGH LEVEL OF SECOND ORDER POLARIZATION SUSCEPTIBILITY EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-12-23 EP disclosed
EP-0313476-A2 An optical article containing a polymeric matrix exhibiting a high level of second order polarization susceptibility EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-04-26 EP disclosed
US-4796971-A CHARGE TRANSFER COMPOUND ON CROSSLINKED MATRIX EASTMAN KODAK COMPANY (US) 1989-01-10 US disclosed
US-4792208-A POLAR ALIGNED NONCENTROSYMMETRIC MOLECULAR DIPOLES; SULFONYL MOIETY AS ELECTRON ACCEPTOR EASTMAN KODAK COMPANY (US) 1988-12-20 US disclosed