SCHEMBL28328154

SCHEMBL28328154

O=C(OC1CCCCCCCCC1)C(=CC1CCCCCCCCC1)C1CCCCCCCCC1.[O]CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CYP2C19 P33261 1/20 0.43
G6PC1 P35575 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALOX12 P18054 2/20 0.39
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX2 P34913 3/20 0.36
NPC1 O15118 2/20 0.36
EPHX1 P07099 2/20 0.36
RAB9A P51151 2/20 0.36
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36

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
SCHEMBL9278599 0.80 EPHX1 (0.39) ALDH1A1CYP2C19SMN1; SMN2LMNAHTT
SCHEMBL93834 0.80 EPHX1 (0.39) ALDH1A1CYP2C19SMN1; SMN2LMNAHTT
SCHEMBL28327096 0.79 ALDH1A1 (0.37) ALDH1A1CYP2C19G6PC1TAAR1KDM4E
SCHEMBL9245846 0.79 EPHX1 (0.38) ALDH1A1CYP2C19SMN1; SMN2LMNAHTT
SCHEMBL14351569 0.79 EPHX1 (0.36) CYP2C19SMN1; SMN2LMNAHTTNPSR1
SCHEMBL10007758 0.69 TDP1 (0.54) ALDH1A1CYP2C19TAAR1LMNAKDM4E
SCHEMBL28434699 0.68 FABP7 (0.42) G6PC1TAAR1MEN1KMT2AEPHX2
SCHEMBL8403422 0.68 TDP1 (0.56) ALDH1A1CYP2C19TAAR1LMNAKDM4E
SCHEMBL3684586 0.67 EPHX2 (0.57) ALDH1A1TAAR1SMN1; SMN2LMNAKDM4E
SCHEMBL5652287 0.67 EPHX2 (0.57) ALDH1A1TAAR1SMN1; SMN2LMNAKDM4E

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-110461978-A Bonding sheet LINTEC CORP 2019-11-15 CN disclosed