SCHEMBL9655692

SCHEMBL9655692

C=C(C)C(=O)OCCCCCCN(CCCCCCOC(=O)C(=C)C)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.41
PPARG P37231 1/20 0.41
PTGS2 P35354 5/20 0.41
APEX1 P27695 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGS1 P23219 2/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP19A1 P11511 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
SCHEMBL9839495 0.96 TSHR (0.47) LSSPPARGPTGS2APEX1POLB
SCHEMBL9655690 0.91 PPARG (0.46) PPARGPTGS2HTTPTGS1MEN1
SCHEMBL9650794 0.91 MAPT (0.48) LSSPTGS2APEX1POLBHTT
SCHEMBL9650790 0.91 MAPT (0.48) LSSPTGS2APEX1POLBHTT
SCHEMBL9654849 0.85 ALDH1A1 (0.42) LSSPPARGPTGS2PTGS1TSHR
SCHEMBL9654844 0.85 ALDH1A1 (0.42) LSSPPARGPTGS2PTGS1TSHR
SCHEMBL8897411 0.84 HTT (0.57) LSSPTGS2APEX1POLBHTT
SCHEMBL8897407 0.84 HTT (0.57) LSSPTGS2APEX1POLBHTT
SCHEMBL10333121 0.84 HTT (0.57) LSSPTGS2APEX1POLBHTT
SCHEMBL12895484 0.84 ATM (0.46) PPARGPOLBHTTTSHRMEN1

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-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
US-4796971-A CHARGE TRANSFER COMPOUND ON CROSSLINKED MATRIX EASTMAN KODAK COMPANY (US) 1989-01-10 US disclosed