SCHEMBL8555523

SCHEMBL8555523

C=CC(=O)NCCC/C(=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 4/20 0.42
▸ MAPT P10636 6/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ APEX1 P27695 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35

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
SCHEMBL8550858 0.79 ALDH1A1 (0.47) TGM2MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL8551386 0.79 MAPT (0.40) MAPTALDH1A1KDM4ECYP1A2POLB
SCHEMBL8553499 0.76 TGM2 (0.48) TGM2MAPTALDH1A1KDM4EPOLB
SCHEMBL8158569 0.75 TDP1 (0.43) MAPTALDH1A1KDM4ECYP1A2POLB
SCHEMBL8547091 0.74 GAA (0.39) TGM2MAPTKDM4ESMN1; SMN2HTT
SCHEMBL10364150 0.73 RAB9A (0.51) TGM2ALDH1A1KDM4ECYP1A2POLB
SCHEMBL8547344 0.73 TGM2 (0.38) TGM2KMT2AGAA
SCHEMBL8157290 0.72 MAPT (0.41) MAPTALDH1A1KDM4ECYP1A2POLB
SCHEMBL10362336 0.71 RAB9A (0.48) TGM2MAPTALDH1A1KDM4EPOLB
SCHEMBL8546512 0.71 VCAM1 (0.44) MAPTALDH1A1KDM4EPOLBTDP1

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-0611786-B1 Orientation layer for liquid crystals ROLIC AG (CH) 1999-04-14 — — EP disclosed
EP-0611786-A1 Orientation layer for liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1994-08-24 — — EP disclosed
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