SCHEMBL9360901

SCHEMBL9360901

COC(=O)CCCCC(=O)N(O)c1ccc2ccccc2c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
CNR1 P21554 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
LMNA P02545 2/20 0.38
MEN1 O00255 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
SCHEMBL9361364 0.99 CNR2 (0.42) CNR2CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL9362540 0.98 CYP1A2 (0.42) CNR2CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL9361293 0.93 CYP1A2 (0.47) CNR2CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL9362035 0.86 CNR2 (0.44) CNR2CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL9364998 0.85 CNR2 (0.43) CNR2CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL9362087 0.84 CYP1A2 (0.43) CNR2CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL9366054 0.83 LMNA (0.38) CYP1A2CYP2C19ALDH1A1HPGDMAPT
SCHEMBL9364883 0.81 ALDH1A1 (0.46) CNR2CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL9362067 0.80 ALDH1A1 (0.45) CNR2CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL9360744 0.79 ALDH1A1 (0.46) CNR2CYP1A2CYP2C19ALDH1A1HPGD

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-0418038-B1 Naphthalene derivative and preparation method thereof TEIJIN LTD (JP) 1994-04-20 EP disclosed
US-5149859-A Cardiovascular disorders TEIJIN LIMITED (JP) 1992-09-22 US disclosed
EP-0418038-A1 Naphthalene derivative and preparation method thereof TEIJIN LIMITED (JP) 1991-03-20 EP disclosed