SCHEMBL7249588

SCHEMBL7249588

CCCCCCCC(O)Oc1ccccc1-c1nc(-c2ccccc2OC(O)CCCCCCC)nc(-c2ccccc2OC(O)CCCCCCC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARG P37231 4/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA1 P30542 2/20 0.38
CSNK1E P49674 1/20 0.38
PPARA Q07869 2/20 0.36
PDE5A O76074 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PRSS1 P07477 2/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
POLM Q9NP87 1/20 0.35
POLK Q9UBT6 1/20 0.35
POLL Q9UGP5 1/20 0.35

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
SCHEMBL7692085 0.88 TLR8 (0.35) CYP1A2CYP19A1CYP2C9CYP2C19PPARG
SCHEMBL7249592 0.81 KMT2A (0.42) CYP1A2CYP19A1CYP2C9CYP2C19PPARG
SCHEMBL23092155 0.78 PPARG (0.34) CYP1A2CYP19A1CYP2C9CYP2C19PPARG
SCHEMBL28021995 0.78 PPARG (0.43) PPARGCSNK1EPPARAPRSS1PRSS2
SCHEMBL9453366 0.77 THRA (0.51) PPARGPPARA
SCHEMBL30912061 0.76 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19PPARGCSNK1E
SCHEMBL28529317 0.76 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19PPARGCSNK1E
SCHEMBL2298660 0.74 ABCB1 (0.51) PPARGPRSS1PRSS2PRSS3CYP3A4
SCHEMBL4662850 0.74 ABCB1 (0.51) PPARGPRSS1PRSS2PRSS3CYP3A4
SCHEMBL6054718 0.74 ADRB2 (0.43) CYP1A2CYP2C19PPARGPPARAMEN1

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-20030013784-A1 Stabilizer mixture GUGUMUS FRANCOIS (CH) 2003-01-16 US disclosed