SCHEMBL9360744

SCHEMBL9360744

COC(=O)CCCC(=O)N(O)Cc1ccc2ccccc2c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.39
ALOX5 P09917 3/20 0.39
SLC2A1 P11166 1/20 0.38
MEN1 O00255 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL9364883 0.98 ALDH1A1 (0.46) ALDH1A1HPGDMAPTKMT2ACYP1A2
SCHEMBL9362067 0.97 ALDH1A1 (0.45) ALDH1A1HPGDMAPTKMT2ACYP1A2
SCHEMBL9361332 0.93 CYP1A2 (0.45) ALDH1A1HPGDMAPTKMT2ACYP1A2
SCHEMBL9365846 0.87 ALDH1A1 (0.44) ALDH1A1HPGDMAPTCYP1A2CYP2C19
SCHEMBL9366093 0.85 ALDH1A1 (0.44) ALDH1A1HPGDMAPTCYP1A2CYP2C19
SCHEMBL9361930 0.84 ALDH1A1 (0.43) ALDH1A1HPGDMAPTCYP1A2CYP2C19
SCHEMBL9365112 0.84 KMT2A (0.41) ALDH1A1HPGDMAPTKMT2ACYP1A2
SCHEMBL9362540 0.81 CYP1A2 (0.42) ALDH1A1HPGDMAPTKMT2ACYP1A2
SCHEMBL9361367 0.80 CYP1A2 (0.46) ALDH1A1HPGDMAPTCYP1A2CYP2C19
SCHEMBL9360901 0.79 CNR2 (0.43) ALDH1A1HPGDMAPTKMT2ACYP1A2

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