SCHEMBL10352633

SCHEMBL10352633

O=C1CC(OCc2ccccc2)([N+](=O)[O-])C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 1/20 0.34
PTPN1 P18031 1/20 0.34
HTT P42858 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
PDE1C Q14123 1/20 0.33
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TTR P02766 1/20 0.33
BLM P54132 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33

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
SCHEMBL4036549 0.82 DDB1 (0.49) DDB1CRBNALDH1A1PDE1CKMT2A
SCHEMBL2197161 0.74 DDB1 (0.42) DDB1CRBNMAOAMAOBPOLB
SCHEMBL4942764 0.73 DDB1 (0.43) DDB1CRBNMAOAMAOBHTT
SCHEMBL10611547 0.65 DDB1 (0.62) DDB1CRBNALDH1A1KMT2ANPC1
SCHEMBL11281090 0.65 DDB1 (0.36) DDB1CRBNMAOAMAOBHPGD
SCHEMBL2361135 0.64 DDB1 (0.77) DDB1CRBNALDH1A1KMT2ANPC1
SCHEMBL5552459 0.63 DDB1 (0.59) DDB1CRBNALDH1A1KMT2ANPC1
SCHEMBL4528306 0.62 DDB1 (0.51) DDB1CRBNALDH1A1MEN1KMT2A
SCHEMBL23705024 0.62 ALDH1A1 (0.46) MAOBALDH1A1MEN1KMT2AGAA
SCHEMBL19028118 0.62 ALDH1A1 (0.39) MAOBHTTALDH1A1CTSVCTSL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107832-B1 STABLE ALLERGENIC EXTRACTS AND METHODS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-09-19 EP disclosed