SCHEMBL8315096

SCHEMBL8315096

O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.51
▸ ALDH1A1 P00352 7/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ TTR P02766 2/20 0.46
▸ POLB P06746 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ HSPB1 P04792 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ GAA P10253 1/20 0.42

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
SCHEMBL28448328 0.96 ALDH1A1 (0.52) MAPTALDH1A1TDP1TTRPOLB
SCHEMBL20591951 0.85 MAPT (0.54) MAPTALDH1A1TDP1TTRPOLB
SCHEMBL28448329 0.83 MAPT (0.48) MAPTALDH1A1TDP1TTRPOLB
SCHEMBL27491468 0.82 TDP1 (0.46) MAPTALDH1A1TDP1POLBL3MBTL1
SCHEMBL7134426 0.81 SMN1; SMN2 (0.49) MAPTALDH1A1TDP1POLBL3MBTL1
SCHEMBL27692446 0.81 MAPT (0.42) MAPTALDH1A1TDP1TTRPOLB
SCHEMBL29246356 0.79 SMN1; SMN2 (0.41) MAPTALDH1A1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL11829181 0.79 KMT2A (0.42) MAPTALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL427368 0.79 ALDH1A1 (0.55) MAPTALDH1A1TDP1TTRPOLB
SCHEMBL29379815 0.79 ALDH1A1 (0.55) MAPTALDH1A1TDP1TTRPOLB

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-0923536-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1999-06-23 — — EP disclosed
WO-1998004517-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-02-05 — — WO disclosed
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