SCHEMBL21722646

SCHEMBL21722646

CC=[C]C=CCCCCC=CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
F7 P08709 3/20 0.37
F3 P13726 3/20 0.37
CYP19A1 P11511 3/20 0.37
MAPT P10636 2/20 0.37
OXER1 Q8TDS5 2/20 0.37
PTGS1 P23219 2/20 0.37
PPARG P37231 2/20 0.37
KMT2A Q03164 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NR1I2 O75469 2/20 0.37
PTGS2 P35354 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
FFAR1 O14842 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
SCHEMBL22572442 0.84 FAAH (0.43) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL6522075 0.80
SCHEMBL8834831 0.77 ALDH1A1 (0.50) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL8834834 0.77 ALDH1A1 (0.50) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL7293901 0.74 ALDH1A1 (0.42) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL7293895 0.74 ALDH1A1 (0.42) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL18941554 0.74 ALDH1A1 (0.38) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL18941556 0.74 ALDH1A1 (0.38) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL18941552 0.74 ALDH1A1 (0.38) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL3320012 0.74 ALDH1A1 (0.54) ALDH1A1F7F3CYP19A1MAPT

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
EP-3837303-A1 A DISPERSANT FOR COATING SYSTEM BASF SE (DE) 2021-06-23 EP disclosed
WO-2020035523-A1 A DISPERSANT FOR COATING SYSTEM BASF SE (DE) 2020-02-20 WO disclosed