SCHEMBL29048522

SCHEMBL29048522

CCCCCCCOC(OCc1ccccc1)OC(OCCCCCCC)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.48
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
LTA4H P09960 1/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
DNM1 Q05193 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL28642627 0.92 CETP (0.42) CETPPLA2G10PLA2G2AEPHX2PKM
SCHEMBL28631362 0.92 CETP (0.42) CETPPLA2G10PLA2G2AEPHX2PKM
SCHEMBL28646544 0.87 ALDH1A1 (0.39) CETPALDH1A1TSHRMAPK1LTA4H
SCHEMBL28924957 0.84 CETP (0.34) CETPALDH1A1TSHRMAPK1CYP3A4
SCHEMBL28642698 0.82 L3MBTL1 (0.33) CETPALDH1A1TSHRMAPK1CYP3A4
SCHEMBL8079929 0.80 TSHR (0.52) ALDH1A1TSHRMAPK1L3MBTL1MEN1
SCHEMBL18641883 0.79 CETP (0.47) CETPALDH1A1TSHRMAPK1LTA4H
SCHEMBL10604671 0.77 PLA2G10 (0.47) CETPTDP1L3MBTL1PLA2G10PLA2G2A
SCHEMBL18641859 0.77 PLA2G10 (0.47) CETPTDP1L3MBTL1PLA2G10PLA2G2A
SCHEMBL10604578 0.77 PLA2G10 (0.47) CETPTDP1L3MBTL1PLA2G10PLA2G2A

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-116568335-A Folate receptor targeted nanoparticle drug conjugate and application thereof 易达制药公司 2023-08-08 CN disclosed