SCHEMBL9710347

SCHEMBL9710347

C#Cc1ccc(OCCCCCCCC)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
CHUK O15111 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKCG P05129 1/20 0.40
CDK1 P06493 1/20 0.40
PIM1 P11309 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
BLK P51451 1/20 0.40
RPS6KA3 P51812 1/20 0.40
JAK3 P52333 1/20 0.40
LIMK1 P53667 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKCD Q05655 1/20 0.40

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
SCHEMBL9706357 1.00 ALDH1A1 (0.45) ALDH1A1HPGDCHUKDAPK3JAK2
SCHEMBL9706445 1.00 ALDH1A1 (0.45) ALDH1A1HPGDCHUKDAPK3JAK2
SCHEMBL15087089 0.98 ALDH1A1 (0.43) ALDH1A1HPGDCHUKDAPK3JAK2
SCHEMBL7654474 0.86 MCHR1 (0.43) ALDH1A1HPGDCHUKDAPK3JAK2
SCHEMBL9723277 0.84 ALDH1A1 (0.58) ALDH1A1HPGDCHUKDAPK3JAK2
SCHEMBL16692011 0.83 L3MBTL1 (0.37) ALDH1A1HPGDL3MBTL1MEN1MAPT
SCHEMBL19160557 0.83 NR5A1 (0.50) ALDH1A1HPGDCHUKDAPK3JAK2
SCHEMBL19160350 0.83 NR5A1 (0.50) ALDH1A1HPGDCHUKDAPK3JAK2
SCHEMBL19160763 0.83 NR5A1 (0.50) ALDH1A1HPGDCHUKDAPK3JAK2
SCHEMBL9723200 0.83 ALDH1A1 (0.56) ALDH1A1HPGD

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
EP-0518636-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-16 EP disclosed