SCHEMBL6784547

SCHEMBL6784547

CCCCOCCc1cc(N(C)C)ccc1C(=O)O.CN(C)c1ccc(C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
CYP2A13 Q16696 1/20 0.41
MAOB P27338 15/20 0.40
MAOA P21397 13/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
APP P05067 10/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
MCL1 Q07820 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPSE Q9Y251 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
SCHEMBL308244 0.91 RARB (0.45) RARARARBKDM4ENPC1ALDH1A1
Ammonia Solution, Strong SCHEMBL10715754 0.90 RARB (0.44) RARARARBKDM4ENPC1ALDH1A1
Trolamine SCHEMBL1472738 0.83 RARB (0.40) MAOBMAOARARARARBKDM4E
SCHEMBL8216676 0.82 PTPN11 (0.40) MAOBMAOARARARARBAPP
SCHEMBL4914947 0.78 GABRP (0.49) RARARARBKDM4ENPC1ALDH1A1
SCHEMBL8660007 0.78 TSHR (0.40) MAOBMAOARARARARBAPP
SCHEMBL480460 0.77 PPARA (0.49) RARARARBKDM4EALDH1A1MCL1
SCHEMBL8744273 0.77 HPSE (0.41) RARARARBHPSE
SCHEMBL38613 0.76 PPARA (0.51) RARARARBMCL1HPSE
SCHEMBL31702785 0.76 RARB (0.52) RARARARB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6729866-B2 Plastic lens systems Q2100, INC. 2004-05-04 US disclosed
US-20020018824-A1 Plastic lens systems, compositions, and methods Q2100, INC. 2002-02-14 US disclosed
US-20020006452-A1 Plastic lens systems, compositions, and methods OPTICAL DYNAMICS CORP. 2002-01-17 US disclosed
US-20010048002-A1 Plastic lens systems, compositions, and methods OPTICAL DYNAMICS CORP. 2001-12-06 US disclosed
US-20010038890-A1 Plastic lens systems, compositions, and methods BUAZZA OMAR M (US) 2001-11-08 US disclosed