SCHEMBL20841817

SCHEMBL20841817

O=C1OC(=O)c2cc(Oc3ccc(Nc4ccc(Oc5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
GSK3B P49841 1/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
APP P05067 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK14 Q16539 1/20 0.38
AKR1C3 P42330 2/20 0.38
GSK3A P49840 1/20 0.38

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
SCHEMBL1501398 0.89 MAOA (0.56) MAOAMAOBL3MBTL1TDP1MAPT
SCHEMBL30970619 0.89 MAOA (0.56) MAOAMAOBL3MBTL1TDP1MAPT
SCHEMBL84254 0.89 MAOA (0.56) MAOAMAOBL3MBTL1TDP1MAPT
SCHEMBL24110831 0.87 MAOA (0.40) MAOAMAOBL3MBTL1MEN1KMT2A
SCHEMBL42261 0.87 MAOA (0.53) MAOAMAOBL3MBTL1TDP1MAPT
SCHEMBL30950420 0.87 MAOA (0.53) MAOAMAOBL3MBTL1TDP1MAPT
SCHEMBL3625447 0.84 MAOA (0.51) MAOAMAOBL3MBTL1TDP1MAPT
SCHEMBL31634592 0.84 MAOA (0.66) MAOAMAOBL3MBTL1TSHRTDP1
SCHEMBL2828515 0.84 MAOA (0.66) MAOAMAOBL3MBTL1TSHRTDP1
SCHEMBL10414698 0.84 MAOA (0.66) MAOAMAOBL3MBTL1TSHRTDP1

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
US-20220388223-A1 Lightly Crosslinked Polyimides with Phenylethynyl Pendants for Shape-Memory Effect and Programmed Enhancement in Tg and Modulus GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2022-12-08 US disclosed
US-10239254-B1 Method of fabricating shape memory films THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2019-03-26 US disclosed