SCHEMBL29690282

SCHEMBL29690282

CCCCC(CC)COC(C)(C)CC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 7/20 0.41
CA2 P00918 4/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
RECQL P46063 1/20 0.36
MAPK1 P28482 2/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL19822055 0.85 CYP3A4 (0.48) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL29460338 0.85 CYP3A4 (0.48) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL30940561 0.83 CYP3A4 (0.47) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL20357731 0.82 CYP3A4 (0.43) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL2280801 0.80 CYP3A4 (0.52) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL5354836 0.80 CYP3A4 (0.52) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL31055389 0.76 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL17162897 0.76 CYP3A4 (0.47) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL17162896 0.76 CYP3A4 (0.49) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL26964331 0.76 CYP3A4 (0.47) CYP3A4L3MBTL1TSHRTDP1ATM

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
CN-118176275-A Method for producing engine fuel from ethanol 瑞典生物燃料股份公司 2024-06-11 CN disclosed
EP-4277591-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR Momentive Performance Materials GmbH (DE) 2023-11-22 EP disclosed
WO-2022152742-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2022-07-21 WO disclosed