SCHEMBL28624026

SCHEMBL28624026

CC(=O)CCCC(C(=O)OC(C)=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TBXAS1 P24557 1/20 0.37
CHRM1 P11229 1/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2C19 P33261 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
SCHEMBL8995858 0.79 GAA (0.51) ALDH1A1KMT2AGAAPKM
Hydrochloric Acid SCHEMBL26120051 0.78 CHRM2 (0.49) ALDH1A1KMT2ACHRM1CYP1A2CYP2C19
SCHEMBL28851561 0.78 GABBR2 (0.43) ALDH1A1KMT2ACHRM1GAACYP3A4
SCHEMBL5610050 0.75 RIPK1 (0.52) ALDH1A1MTNR1AMTNR1BSMN1; SMN2
SCHEMBL1595458 0.75 TBXAS1 (0.51) ALDH1A1TBXAS1CYP1A2CYP2D6SMN1; SMN2
SCHEMBL3263344 0.75 TBXAS1 (0.51) ALDH1A1TBXAS1CYP1A2CYP2D6SMN1; SMN2
SCHEMBL14062067 0.75 NPC1 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL11578611 0.75 NPC1 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL27608413 0.74 MMP8 (0.48) KMT2ACHRM1GAASMN1; SMN2
SCHEMBL28333199 0.74 CYP1A2 (0.47) KMT2ACHRM1GAACYP3A4CYP1A2

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-107690330-B Long lasting fragrance delivery composition 莫门蒂夫性能材料股份有限公司 2021-08-17 CN disclosed