SCHEMBL28429680

SCHEMBL28429680

C#CCCC#COC(=O)CCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
DGKA P23743 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
PTPN7 P35236 5/20 0.33
ALDH1A1 P00352 3/20 0.33
CNR1 P21554 2/20 0.33
LMNA P02545 2/20 0.33
HMGCR P04035 2/20 0.33
CNR2 P34972 1/20 0.33
PAM P19021 2/20 0.33
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL11538431 0.89 CYP1A2 (0.36) L3MBTL1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL1482994 0.89 CYP1A2 (0.41) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11538423 0.87 CYP1A2 (0.44) DGKAALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL11537702 0.87 CYP1A2 (0.44) DGKAALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL11538435 0.87 CYP1A2 (0.44) DGKAALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL4446047 0.85 CYP1A2 (0.34) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7202525 0.84 TSHR (0.37) ALDH1A1SMN1; SMN2
SCHEMBL7203348 0.83 TSHR (0.33) DGKACNR1CNR2MAPTCYP1A2
SCHEMBL28230165 0.83 CYP1A2 (0.53) PTPN7ALDH1A1LMNAHMGCRMAPT
SCHEMBL28387307 0.79 CYP1A2 (0.42) LMNAMAPTCYP1A2CYP2D6CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111356709-A Polymers and dosage forms having sustained release properties and resistance to the effects of ethanol 赢创运营有限公司 2020-06-30 CN disclosed