SCHEMBL28634941

SCHEMBL28634941

C=CCOC(CCCC)CCCCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 2/20 0.36
DNM1 Q05193 3/20 0.34
OPRM1 P35372 1/20 0.33
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
CA2 P00918 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16107215 0.96 TSHR (0.43) TSHRALDH1A1DNM1OPRM1LMNA
SCHEMBL25125852 0.96 TSHR (0.43) TSHRALDH1A1DNM1OPRM1LMNA
SCHEMBL29287268 0.92 TSHR (0.41) TSHRALDH1A1DNM1OPRM1LMNA
SCHEMBL7876709 0.88 TSHR (0.33) TSHRALDH1A1
SCHEMBL1817041 0.88 TSHR (0.41) TSHRALDH1A1DNM1OPRM1LMNA
SCHEMBL15978448 0.88 TSHR (0.41) TSHRALDH1A1OPRM1
SCHEMBL27657804 0.88 TSHR (0.36) TSHRALDH1A1DNM1MEN1KMT2A
SCHEMBL18698899 0.87 TSHR (0.34) TSHRALDH1A1
SCHEMBL9407355 0.85 LMNA (0.44) TSHRALDH1A1LMNA
SCHEMBL28462919 0.83 DNM1 (0.47) TSHRALDH1A1DNM1MEN1KMT2A

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-113387778-B Meta-alkenyl substituted aryl alkyl ether and preparation method and application thereof 广州大学 2022-03-29 CN disclosed
CN-113387778-A Meta-alkenyl substituted aryl alkyl ether and preparation method and application thereof 广州大学 2021-09-14 CN disclosed