SCHEMBL11564938

SCHEMBL11564938

Cc1c(CC(C)O)cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.40
ALOX12 P18054 1/20 0.40
GPR35 Q9HC97 2/20 0.38
MAPT P10636 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.34
HPGD P15428 2/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
VCAM1 P19320 1/20 0.34
GRIA2 P42262 1/20 0.34
PDK1 Q15118 1/20 0.33
GAA P10253 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 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
SCHEMBL11565759 0.82 GPR35 (0.42) ALOX15GPR35TSHRALDH1A1CYP3A4
SCHEMBL11600578 0.82 GRIN2D (0.43) ALOX15GPR35TSHRALDH1A1CYP3A4
SCHEMBL11565097 0.79 GPR35 (0.40) ALOX15GPR35MAPTTSHRALDH1A1
SCHEMBL11319450 0.78 GRIN2D (0.40) ALOX15GPR35MAPTTSHRALDH1A1
SCHEMBL11561732 0.77 TSHR (0.42) ALOX15GPR35TSHRALDH1A1CYP3A4
SCHEMBL11332666 0.75 TSHR (0.36) ALOX15GPR35TSHRALDH1A1CYP3A4
SCHEMBL11564941 0.74 ALDH1A1 (0.38) ALOX15GPR35MAPTTSHRALDH1A1
SCHEMBL11317647 0.74 TSHR (0.40) ALOX15GPR35TSHRALDH1A1CYP3A4
SCHEMBL11562945 0.74 GPR35 (0.36) ALOX15GPR35MAPTTSHRALDH1A1
SCHEMBL8649537 0.73 CYP1A2 (0.52) ALOX15GPR35TSHRALDH1A1CYP3A4

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
US-4180679-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1979-12-25 US claimed