SCHEMBL9816372

SCHEMBL9816372

C=C(C)CCCC(=O)OC1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 3/20 0.45
CYP2C19 P33261 1/20 0.44
EPHX1 P07099 3/20 0.43
CYP19A1 P11511 2/20 0.40
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
EPHX2 P34913 2/20 0.36
TSHR P16473 1/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 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
SCHEMBL19150279 0.87 NAAA (0.72) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL4570309 0.87 NAAA (0.72) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL11006772 0.86 NAAA (0.67) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL1980866 0.85 NAAA (0.71) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL207867 0.83 NAAA (0.79) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL17675641 0.83 NAAA (0.79) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL701258 0.81 NAAA (0.57) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL15987690 0.81 NAAA (0.82) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL31069919 0.81 NAAA (0.82) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL1681692 0.81 NAAA (0.82) NAAASMN1; SMN2HTTCYP2C19EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0174271-B1 ANTHRACEME DERIVATIVES CIBA-GEIGY AG (CH) 1991-10-16 EP disclosed
US-4835323-A Hydroquinones CIBA-GEIGY AG (CH) 1989-05-30 US disclosed
US-4631252-A PHOTOGRAPHIC STABILIZERS CIBA-GEIGY AG (CH) 1986-12-23 US disclosed
US-4616082-A PHOTOGRAPHIC STABILIZERS CIBA-GEIGY AG (CH) 1986-10-07 US disclosed
US-4608435-A BLEACHING INHIBITORS FOR PHOTOPHAPHIC MATERIALS CIBA-GEIGY AG (CH) 1986-08-26 US disclosed
EP-0174271-A2 Anthraceme derivatives CIBA-GEIGY AG (CH) 1986-03-12 EP disclosed
US-4549015-A PHOTOHRAPHIC STABILIZERS CIBA-GEIGY AG (CH) 1985-10-22 US disclosed
US-4484000-A PHOTOGRAPHIC STABILIZERS CIBA-GEIGY AG (CH) 1984-11-20 US disclosed