SCHEMBL11079796

SCHEMBL11079796

CC(C(=O)O)C1Cc2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
HTR1A P08908 3/20 0.42
DRD1 P21728 3/20 0.42
DRD2 P14416 3/20 0.41
HTR2A P28223 3/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PTPRC P08575 3/20 0.39
S100A4 P26447 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TLR9 Q9NR96 1/20 0.39
ACHE P22303 2/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL15617648 0.85 PNMT (0.45) PNMTADRA2AADRA2BADRA2CHTR1A
SCHEMBL11080595 0.79 ACHE (0.55) ACHEBCHE
SCHEMBL11077273 0.79 HTR2A (0.39) HTR1ADRD2HTR2AHTTACHE
SCHEMBL12237094 0.78 HTR1A (0.41) PNMTADRA2AADRA2BADRA2CHTR1A
SCHEMBL8667324 0.76 PNMT (0.52) PNMTADRA2AADRA2BADRA2C
SCHEMBL2246368 0.75 ACHE (0.58) PNMTADRA2AADRA2BADRA2CHTR1A
SCHEMBL15617650 0.75 TLR9 (0.46) PNMTADRA2AADRA2BADRA2CLMNA
SCHEMBL12237175 0.74 HTR1A (0.41) PNMTADRA2AADRA2BADRA2CHTR1A
SCHEMBL1808330 0.72 PTPRC (0.47) PNMTADRA2AADRA2BADRA2CHTR1A
SCHEMBL10854713 0.71 TDP2 (0.45) PNMTADRA2AADRA2BADRA2CHTR1A

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
US-4443626-A ANTIINFLAMMATORY, ANTIALLERGENS, ANALGESICS, ANTICOAGULANTS, ANTIPRETICS, OR ANTICHOLESTEROL AGENTS HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1984-04-17 US claimed
US-4443626-A ANTIINFLAMMATORY, ANTIALLERGENS, ANALGESICS, ANTICOAGULANTS, ANTIPRETICS, OR ANTICHOLESTEROL AGENTS HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1984-04-17 US disclosed