SCHEMBL9384240

SCHEMBL9384240

COc1cc(CCC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
FFAR1 O14842 3/20 0.47
ALOX5 P09917 1/20 0.47
OR51E2 Q9H255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
TTR P02766 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL5673785 0.85 ALDH1A1 (0.60) MAPTCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL2593397 0.85 ALDH1A1 (0.60) MAPTCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL30875697 0.84 SMN1; SMN2 (0.52) MAPTCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL8867665 0.84 SMN1; SMN2 (0.52) MAPTCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL8867650 0.82 ALDH1A1 (0.50) MAPTCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL2350911 0.81 ALDH1A1 (0.58) MAPTCYP1A2CYP3A4CYP2C19FFAR1
SCHEMBL9385245 0.81 CYP1A2 (0.56) MAPTCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL8790409 0.81 TSHR (0.55) MAPTFFAR1SMN1; SMN2KMT2AFFAR4
SCHEMBL10410570 0.81 KDM4E (0.60) MAPTCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL704754 0.80 TTR (0.64) MAPTCYP1A2CYP3A4CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed