SCHEMBL10686702

SCHEMBL10686702

C=CCC(C(=O)O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.67
TSHR P16473 1/20 0.67
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
CPA1 P15085 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CTSD P07339 1/20 0.39
MAOB P27338 1/20 0.38
HCAR3 P49019 1/20 0.37

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
SCHEMBL6891792 0.83 ALDH1A1 (0.62) CYP1A2TSHRCYP2C19ALDH1A1KDM4E
SCHEMBL9479735 0.81 CYP1A2 (0.74) CYP1A2TSHRALDH1A1KDM4EMAPT
SCHEMBL3241378 0.81 CYP1A2 (0.49) CYP1A2TSHRCYP2C19ALDH1A1KDM4E
SCHEMBL29557923 0.81 CYP1A2 (0.49) CYP1A2TSHRCYP2C19ALDH1A1KDM4E
SCHEMBL7263686 0.80 CYP1A2 (1.00) CYP1A2TSHRALDH1A1KDM4EMAPT
SCHEMBL475205 0.80 CYP1A2 (0.72) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL7263695 0.80 CYP1A2 (1.00) CYP1A2TSHRALDH1A1KDM4EMAPT
SCHEMBL185471 0.80 CYP1A2 (0.72) CYP1A2TSHRALDH1A1KDM4EMAPT
SCHEMBL29475159 0.80 CYP1A2 (0.72) CYP1A2TSHRALDH1A1KDM4EMAPT
SCHEMBL475201 0.80 CYP1A2 (0.72) CYP1A2TSHRALDH1A1MEN1KMT2A

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