SCHEMBL7548469

SCHEMBL7548469

CCCCC(CC)COC(C)OC(C)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.45
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 7/20 0.44
CA2 P00918 3/20 0.40
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL10484034 0.86 LMNA (0.44) CYP3A4LMNAPRSS1PRSS2PRSS3
SCHEMBL15159150 0.85 CYP3A4 (0.47) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL978998 0.85 ALDH1A1 (0.50) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL2818214 0.85 CYP3A4 (0.53) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL15160835 0.79 CYP3A4 (0.48) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL8217861 0.79 ALDH1A1 (0.52) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL101500 0.78 CYP3A4 (0.47) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL1284067 0.78 CYP3A4 (0.47) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL28477060 0.78 CYP3A4 (0.47) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL6248707 0.77 ALDH1A1 (0.50) CYP3A4TSHRTDP1ATML3MBTL1

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
US-20020032303-A1 Alkoxy-(0-7-(alkyloxy))alkyl p-hydroxybenzoates; high-temperature volatilization resistance and low-temperature impact resistance. NEW JAPAN CHEMICAL CO., LTD. (JP) 2002-03-14 US disclosed
US-6348563-B1 2*-ETHYLHEXYLOXYETHOXYETHYL P-HYDROXYBENZOATE COMPATIBLE WITH POLYLAUROLACTAM AND POLYUNDECANOLACTAM; LOW VOLATILITY; HEAT AND COLD RESISTANCE; IMPACT STRENGTH, FLEXIBILITY NEW JAPAN CHEMICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-0974575-A1 p-HYDROXYBENZOIC ESTERS, PLASTICIZER CONTAINING THE SAME, POLYAMIDE RESIN COMPOSITION, AND MOLDED OBJECTS NEW JAPAN CHEMICAL CO.,LTD. (JP) 2000-01-26 EP disclosed