SCHEMBL11028290

SCHEMBL11028290

Cc1cc([N+](=O)[O-])c(C)c(Cl)c1Oc1ccc(Cl)c2c1CCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 3/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 4/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALOX12 P18054 1/20 0.34
CCR6 P51684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EPAS1 Q99814 1/20 0.33
NPC1 O15118 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
SCHEMBL11027726 0.86 ALDH1A1 (0.33) S1PR4HPGDALDH1A1KDM4ECYP1A2
SCHEMBL10963036 0.83 MEN1 (0.41) S1PR4ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL11032957 0.81 LMNA (0.41) S1PR4HPGDALDH1A1KDM4ELMNA
SCHEMBL11289441 0.81 MEN1 (0.40) S1PR4HPGDALDH1A1CYP1A2LMNA
SCHEMBL10495908 0.80 S1PR4 (0.53) S1PR4HPGDKDM4ELMNAPOLB
SCHEMBL8657564 0.80 LMNA (0.52) S1PR4HPGDALDH1A1CYP1A2LMNA
SCHEMBL10770531 0.79 HPGD (0.40) S1PR4HPGDALDH1A1KDM4ELMNA
SCHEMBL11033192 0.79 THRA (0.34) THRATHRB
SCHEMBL8659465 0.79 S1PR4 (0.45) S1PR4HPGDALDH1A1KDM4ECYP1A2
SCHEMBL10601119 0.75 HPGD (0.40) S1PR4HPGDALDH1A1CYP1A2LMNA

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-4426385-A Insecticidal bicyclooxyphenyl ureas UNION CARBIDE CORPORATION (US) 1984-01-17 US disclosed
EP-0050321-A2 Novel bicyclooxyphenyl ureas, process for their preparation and pesticides containing them UNION CARBIDE CORPORATION (US) 1982-04-28 EP disclosed