SCHEMBL11474249

SCHEMBL11474249

O=[PH](OCCCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)OCCCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
SLC6A3 Q01959 2/20 0.38
CASR P41180 1/20 0.37
CNR2 P34972 1/20 0.37
LMNA P02545 3/20 0.34
CYP2C9 P11712 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
GABBR2 O75899 3/20 0.33
GABBR1 Q9UBS5 3/20 0.33
ADORA3 P0DMS8 1/20 0.33
NFKB1 P19838 1/20 0.33
DRD3 P35462 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
SCHEMBL11474253 0.87 SLC6A3 (0.39) CNR1SLC6A3CASRCNR2LMNA
Water SCHEMBL11025429 0.76 SLC6A3 (0.39) CNR1SLC6A3CASRCNR2LMNA
SCHEMBL7333341 0.71 CNR1 (0.41) CNR1SLC6A3LMNACYP2C9MEN1
SCHEMBL7633113 0.71 CNR1 (0.41) CNR1SLC6A3CASRCNR2LMNA
Chlorobenzene SCHEMBL11374111 0.70 LTA4H (0.42) CYP2C9KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL11028921 0.70 SLC6A3 (0.40) CNR1SLC6A3CASRCNR2LMNA
SCHEMBL11028893 0.70 SLC6A3 (0.40) CNR1SLC6A3LMNAMEN1KMT2A
SCHEMBL11278453 0.69 CNR1 (0.41) CNR1SLC6A3CASRCNR2LMNA
SCHEMBL11278459 0.69 CNR1 (0.41) CNR1SLC6A3CASRCNR2LMNA
SCHEMBL11025423 0.69 CNR1 (0.41) CNR1SLC6A3CASRCNR2LMNA

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-4207224-A Plastics composition CIBA-GEIGY AG (CH) 1980-06-10 US disclosed