SCHEMBL29260702

SCHEMBL29260702

COCCCCOc1ccc(-c2ccc(-c3cc(Br)c(OCCCCO)c(OC)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 5/20 0.41
GAA P10253 5/20 0.41
SI P14410 5/20 0.41
MGAM2 Q2M2H8 5/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
ERN1 O75460 1/20 0.40
FYN P06241 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
S1PR2 O95136 6/20 0.37
S1PR1 P21453 6/20 0.37
S1PR3 Q99500 5/20 0.37

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
SCHEMBL29260703 0.82 ERN1 (0.52) MGAMGAASIMGAM2ERN1
SCHEMBL30956043 0.81 TUBB1 (0.46) MGAMGAASIMGAM2ERN1
SCHEMBL29260706 0.81 TUBB1 (0.46) MGAMGAASIMGAM2ERN1
SCHEMBL6948113 0.75 MAPT (0.45) GAAFYNSMN1; SMN2MAPTRAB9A
SCHEMBL30956033 0.74 AURKA (0.42) MGAMGAASIMGAM2ERN1
SCHEMBL29260700 0.74 AURKA (0.42) MGAMGAASIMGAM2ERN1
SCHEMBL29260699 0.73 FYN (0.48) ERN1FYNAURKAKDRAURKB
SCHEMBL1669006 0.72 RARB (0.49) GAAHDAC1HDAC2MAPTL3MBTL1
SCHEMBL20122770 0.72 ALDH1A1 (0.54) GAAHDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL2718049 0.72 ALDH1A1 (0.54) GAAHDAC1HDAC2L3MBTL1ALDH1A1

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-118185638-A Self-alignment agent and liquid crystal composition thereof 江苏和成显示科技有限公司 2024-06-14 CN disclosed