SCHEMBL9655690

SCHEMBL9655690

C=C(C)C(=O)OCCN(CCOC(=O)C(=C)C)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PTGS2 P35354 7/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
PTGS1 P23219 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
CYP19A1 P11511 1/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL12895484 0.93 ATM (0.46) PPARGMEN1KMT2AMAPTALDH1A1
SCHEMBL9655692 0.91 LSS (0.41) PPARGPTGS2MEN1KMT2AMAPT
SCHEMBL6046910 0.90 MAPT (0.46) PTGS2MEN1KMT2AMAPTPTGS1
SCHEMBL6046909 0.90 MAPT (0.46) PTGS2MEN1KMT2AMAPTPTGS1
SCHEMBL16311864 0.88 ATM (0.43) PPARGMEN1KMT2AMAPTALDH1A1
SCHEMBL9839495 0.88 TSHR (0.47) PPARGPTGS2MEN1KMT2AMAPT
SCHEMBL7096253 0.87 ATM (0.49) PPARGMEN1KMT2AMAPTALDH1A1
SCHEMBL625611 0.86 MMP14 (0.49) PPARGMEN1KMT2AMAPTALDH1A1
SCHEMBL8614034 0.86 LSS (0.43) PPARGMEN1KMT2AMAPTALDH1A1
SCHEMBL625610 0.86 MMP14 (0.49) PPARGMEN1KMT2AMAPTALDH1A1

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