SCHEMBL18944633

SCHEMBL18944633

CC/C=C\C/C=C\C/C=C\C/C=C\CCSC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.44
ALDH1A1 P00352 6/20 0.42
CYP19A1 P11511 4/20 0.42
PPARG P37231 3/20 0.42
OXER1 Q8TDS5 3/20 0.42
MAPT P10636 3/20 0.42
RXRA P19793 2/20 0.42
FFAR1 O14842 2/20 0.42
F7 P08709 3/20 0.39
F3 P13726 3/20 0.39
PPARA Q07869 3/20 0.39
KMT2A Q03164 2/20 0.39
PPARD Q03181 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
NR1I2 O75469 2/20 0.37
PTGS2 P35354 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
PLA2G1B P04054 1/20 0.37

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
SCHEMBL12519328 0.85 PTGS1 (0.41) PTGS1ALDH1A1CYP19A1PPARGOXER1
SCHEMBL13243189 0.82 ALDH1A1 (0.39) PTGS1ALDH1A1CYP19A1PPARGOXER1
SCHEMBL18920280 0.79 PTGS1 (0.51) PTGS1ALDH1A1CYP19A1PPARGOXER1
SCHEMBL18920278 0.79 PTGS1 (0.51) PTGS1ALDH1A1CYP19A1PPARGOXER1
SCHEMBL13003226 0.74 PTGS1 (0.55) PTGS1ALDH1A1CYP19A1PPARGOXER1
SCHEMBL351756 0.74 ALDH1A1 (0.56) PTGS1ALDH1A1CYP19A1PPARGOXER1
SCHEMBL351755 0.74 ALDH1A1 (0.56) PTGS1ALDH1A1CYP19A1PPARGOXER1
SCHEMBL3419343 0.74 PTGS1 (0.50) PTGS1ALDH1A1CYP19A1PPARGOXER1
SCHEMBL3419336 0.74 PTGS1 (0.50) PTGS1ALDH1A1CYP19A1PPARGOXER1
SCHEMBL7822319 0.71 HTR1A (0.37) HTR1ADRD2HTR2AHTR7

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
WO-2017093732-A1 LIPID COMPOUNDS AND COMPOSITIONS AND THEIR OPTHALMIC USE BIOZEP AS (NO) 2017-06-08 WO disclosed