SCHEMBL29607397

SCHEMBL29607397

C#Cc1ccc(OCCCCCC)c(OCCCCCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKCG P05129 1/20 0.44
CDK1 P06493 1/20 0.44
PIM1 P11309 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 1/20 0.44
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
BLK P51451 1/20 0.44
RPS6KA3 P51812 1/20 0.44
JAK3 P52333 1/20 0.44
LIMK1 P53667 1/20 0.44
PRKCZ Q05513 1/20 0.44
PRKCD Q05655 1/20 0.44
PAK1 Q13153 1/20 0.44
STK3 Q13188 1/20 0.44

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
SCHEMBL3758134 1.00 CHUK (0.44) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL28748440 1.00 CHUK (0.44) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL7925295 0.93 CYP1A2 (0.41) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL29101743 0.90 SMPD1 (0.50) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL28041717 0.87 ALDH1A1 (0.45) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL2851634 0.87 ALDH1A1 (0.48) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL9710334 0.86 THRA (0.48) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL9710151 0.86 THRA (0.48) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL9850712 0.86 THRA (0.48) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL8751862 0.86 THRA (0.48) CHUKDAPK3JAK2ROCK2PRKCG

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-114437104-B Compound containing benzothiophene condensed rings, preparation method and application thereof 中国石油化工股份有限公司 2023-10-13 CN disclosed
CN-114437104-A Compound containing benzothiophene fused ring and preparation method and application thereof 中国石油化工股份有限公司 2022-05-06 CN disclosed