SCHEMBL8328700

SCHEMBL8328700

C=CCCCOc1ccc2cc(C(=O)Oc3ccc(OCC)cc3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 2/20 0.47
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
LMNA P02545 4/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL8328036 0.98 L3MBTL1 (0.53) L3MBTL1ALDH1A1KMT2APRSS1ACR
SCHEMBL8331355 0.96 L3MBTL1 (0.52) L3MBTL1ALDH1A1KMT2APRSS1ACR
SCHEMBL8329494 0.95 KMT2A (0.50) L3MBTL1ALDH1A1KMT2APRSS1ACR
SCHEMBL8332709 0.88 MAPT (0.56) KMT2ALMNANPC1SMN1; SMN2CCNC
SCHEMBL13146702 0.84 L3MBTL1 (0.71) L3MBTL1ALDH1A1KMT2APRSS1ACR
SCHEMBL9879247 0.81 LMNA (0.63) L3MBTL1ALDH1A1KMT2APRSS1ACR
SCHEMBL18763594 0.81 ALDH1A1 (0.62) L3MBTL1ALDH1A1KMT2APRSS1ACR
SCHEMBL8572744 0.80 L3MBTL1 (0.65) L3MBTL1ALDH1A1KMT2APRSS1ACR
SCHEMBL25867841 0.80 L3MBTL1 (0.65) L3MBTL1ALDH1A1KMT2APRSS1ACR
SCHEMBL9878895 0.80 LMNA (0.65) L3MBTL1ALDH1A1KMT2APRSS1ACR

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
US-5900145-A CROSSLINKED POLYSILOXANE LAYER HAVING AN AROMATIC LIQUID CRYSTAL SIDECHAIN INCLUDING A 2,6-NAPHTHALENE OR 4,4'-DIPHENYLENE GROUP; SEPARATION OF ISOMERS OF AROMATIC HYDROCARBONS, HALOGENATED AROMATIC TOXIC HYDROCARBONS J & K ENVIRONMENTAL LTD. (CA) 1999-05-04 US disclosed