SCHEMBL10694212

SCHEMBL10694212

C=CCC(C(=O)OCC)(C(=O)OCC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
POLB P06746 2/20 0.56
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 8/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RECQL P46063 1/20 0.41
AR P10275 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL11039515 0.85 ALDH1A1 (0.76) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL27794183 0.81 ALDH1A1 (0.51) ALDH1A1POLBCYP2C19MAPTPKM
SCHEMBL7444744 0.81 ALDH1A1 (0.54) ALDH1A1POLBTDP1KMT2ALMNA
SCHEMBL10951249 0.80 ALDH1A1 (0.50) ALDH1A1POLBMAPTKMT2ASMN1; SMN2
SCHEMBL10685573 0.80 CYP2C19 (0.50) ALDH1A1POLBCYP2C19TDP1MAPT
SCHEMBL664917 0.77 ALDH1A1 (0.56) ALDH1A1POLBCYP2C19MAPTPKM
SCHEMBL27370387 0.77 ALDH1A1 (0.56) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL11841515 0.77 ALDH1A1 (0.56) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL395369 0.77 ALDH1A1 (0.56) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL18053923 0.76 ALDH1A1 (0.55) ALDH1A1POLBMAPTPKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4720506-A Immunomodulating agent NIPPON SHINYAKU COMPANY, LIMITED (JP) 1988-01-19 US disclosed
EP-0094599-B1 USE OF AMINOPHENYLACETIC ACID DERIVATIVES FOR THE MANUFACTURE OF AN IMMUNOMODULATING MEDICAL PREPARATION MITSUBISHI KASEI CORPORATION (JP) 1987-04-01 EP disclosed
EP-0052296-B1 GLUTAMINE DERIVATIVES USABLE FOR CURING IMMUNE DISEASES, METHODS FOR THEIR PREPARATION AND COMPOSITIONS COMPRISING SAID DERIVATIVES MITSUBISHI KASEI CORPORATION (JP) 1984-06-27 EP disclosed
US-4439448-A IMMUNOMODULATING ACTIVITY MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1984-03-27 US disclosed
EP-0094599-A1 Use of aminophenylacetic acid derivatives for the manufacture of an immunomodulating medical preparation MITSUBISHI KASEI CORPORATION (JP) 1983-11-23 EP disclosed
EP-0052296-A1 Glutamine derivatives usable for curing immune diseases, methods for their preparation and compositions comprising said derivatives MITSUBISHI KASEI CORPORATION (JP) 1982-05-26 EP disclosed