SCHEMBL9508850

SCHEMBL9508850

O=C(O)CCCCCCC(Cc1ccccc1[N+](=O)[O-])(Cc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 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
SCHEMBL9623545 0.99 MEN1 (0.44) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL9623550 0.99 MEN1 (0.44) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL4609127 0.81 MAPT (0.54) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL6754408 0.81 MAPT (0.54) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL4610015 0.81 MAPT (0.54) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL6754133 0.79 ALDH1A1 (0.51) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL6754130 0.79 ALDH1A1 (0.51) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL1352270 0.77 ALDH1A1 (0.53) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL4657892 0.77 ALDH1A1 (0.53) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL9191113 0.76 MAPT (0.56) MAPTALDH1A1TSHRLMNAATM

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-0232972-B1 NEGATIVE PHOTORESIST COMPOSITIONS AND PROCESSES FOR PREPARING THERMALLY STABLE, NEGATIVE IMAGES USING THEM ROHM AND HAAS COMPANY (US) 1993-09-08 EP disclosed
EP-0232972-A2 Negative photoresist compositions and processes for preparing thermally stable, negative images using them ROHM AND HAAS COMPANY (US) 1987-08-19 EP disclosed