SCHEMBL9750806

SCHEMBL9750806

CCCOC=C(C)C(=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.39
ELANE P08246 2/20 0.39
FAAH O00519 7/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL31619365 0.91 FAAH (0.45) ZDHHC2ELANEFAAHL3MBTL1
SCHEMBL2344515 0.89 MAPT (0.42) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL5440629 0.88 ALDH1A1 (0.42) KMT2AALDH1A1MAPTHPGDLMNA
SCHEMBL1614466 0.82 ALDH1A1 (0.38) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL1614159 0.82 ALDH1A1 (0.38) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL14482977 0.82 ALDH1A1 (0.38) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL1614290 0.82 ALDH1A1 (0.38) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL14482005 0.82 ALDH1A1 (0.38) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL7068401 0.80 ZDHHC2 (0.41) KMT2AALDH1A1MEN1MAPTTHRB
SCHEMBL21373876 0.80 NPC1 (0.46) KMT2AALDH1A1MEN1MAPTHPGD

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-5021467-A Polycarbonates modified by 6-hydoxycaproic acid and an acrylic acid, unsaturated compound and a photoinitiator; quick setting coatings of optical glass fibers NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-06-04 US claimed