SCHEMBL28879161

SCHEMBL28879161

O=C(O)CCC1(C2CCCCC2)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 5/20 0.37
DGAT1 O75907 1/20 0.36
CYP2C19 P33261 2/20 0.35
GPBAR1 Q8TDU6 3/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
EFNA1 P20827 1/20 0.35
EPHA2 P29317 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL28704564 0.89 ALDH1A1 (0.41) ALDH1A1LMNACYP2C19GPBAR1HSD17B10
SCHEMBL7638598 0.80 CYP2C19 (0.47) ALDH1A1LMNACYP2C19HSD17B10MEN1
SCHEMBL17316190 0.80 CYP2C19 (0.47) ALDH1A1LMNACYP2C19HSD17B10MEN1
SCHEMBL16910204 0.80 CYP2C19 (0.47) ALDH1A1LMNACYP2C19HSD17B10MEN1
SCHEMBL28686510 0.75 BBOX1 (0.36) LMNAHSD17B10TSHRCYP1A2CYP3A4
SCHEMBL4616111 0.73 CYP1A2 (0.34) LMNAHSD17B10MEN1KMT2ATDP1
SCHEMBL16599693 0.73 TSHR (0.37) LMNATSHR
SCHEMBL10999169 0.72 TSHR (0.34) LMNAHSD17B10MEN1KMT2ATDP1
SCHEMBL10941645 0.72 FFAR1 (0.31) TDP1
Formic Acid SCHEMBL28417895 0.72 CYP3A4 (0.35) LMNAHSD17B10MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115297958-A Microcapsules coated with polysuccinimide derivatives 弗门尼舍有限公司 2022-11-04 CN disclosed
CN-115279484-A Coacervate core-shell microcapsules 弗门尼舍有限公司 2022-11-01 CN disclosed