SCHEMBL8460646

SCHEMBL8460646

O=C(O)CCC(=O)c1cc2c3ccccc3ccc2c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.55
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 5/20 0.55
CYP1A2 P05177 4/20 0.55
KMT2A Q03164 4/20 0.55
CYP2D6 P10635 3/20 0.55
GLA P06280 3/20 0.55
POLB P06746 3/20 0.55
HSD17B10 Q99714 3/20 0.55
CYP2C19 P33261 1/20 0.50
ADAM17 P78536 1/20 0.48
GAA P10253 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
SOS1 Q07889 2/20 0.44
NR4A2 P43354 1/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
GMNN O75496 2/20 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
SCHEMBL7966051 0.89 ALDH1A1 (0.65) HPGDKDM4EALDH1A1CYP1A2KMT2A
SCHEMBL10946505 0.80 MEN1 (0.65) HPGDKDM4EALDH1A1KMT2AGLA
SCHEMBL7821030 0.79 ALDH1A1 (0.58) HPGDKDM4EALDH1A1CYP1A2KMT2A
SCHEMBL29387947 0.78 ALDH1A1 (0.63) HPGDKDM4EALDH1A1CYP1A2KMT2A
SCHEMBL818033 0.78 ALDH1A1 (0.63) HPGDKDM4EALDH1A1CYP1A2KMT2A
SCHEMBL10484289 0.75 ALDH1A1 (0.61) HPGDKDM4EALDH1A1CYP1A2KMT2A
SCHEMBL28879929 0.74 ALDH1A1 (0.58) HPGDKDM4EALDH1A1CYP1A2KMT2A
SCHEMBL29875909 0.74 ALDH1A1 (0.58) HPGDKDM4EALDH1A1CYP1A2KMT2A
SCHEMBL8718849 0.73 NR4A1 (0.74) HPGDKDM4EALDH1A1KMT2AGLA
SCHEMBL9371365 0.73 CYP1A1 (0.56) HPGDKDM4EALDH1A1CYP1A2KMT2A

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-0742805-B1 POWDER PAINT DSM NV (NL) 1999-03-24 EP disclosed
EP-0742805-A1 POWDER PAINT DSM N.V. (NL) 1996-11-20 EP disclosed
WO-1995021208-A1 POWDER PAINT DSM N.V. (NL) 1995-08-10 WO disclosed