SCHEMBL7608540

SCHEMBL7608540

CCCC([O])C(CCC)C(C)(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
KIF11 P52732 1/20 0.35
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KCNN4 O15554 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
NR3C2 P08235 1/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL7603495 0.89 ALDH1A1 (0.39) PRSS1CTSGCTRB1CMA1CNR2
SCHEMBL7605246 0.89 ALDH1A1 (0.39) PRSS1CTSGCTRB1CMA1CNR2
SCHEMBL14402557 0.76 AOC3 (0.41) CYP2C19HIF1ATAAR1KIF11KCNN4
SCHEMBL13849904 0.76 AOC3 (0.41) CYP2C19HIF1ATAAR1KIF11KCNN4
SCHEMBL7187468 0.72 TAAR1 (0.38) CYP2C19HIF1ATAAR1KIF11PRSS1
SCHEMBL2319956 0.72 MAPK1 (0.40) CYP2C19HIF1ATAAR1KIF11PRSS1
Hydrogen Peroxide SCHEMBL9456643 0.72 ALDH1A1 (0.42) CYP2C19HIF1ATAAR1KIF11KCNN4
SCHEMBL15666084 0.69 TSHR (0.32)
SCHEMBL6460090 0.69 MAPK1 (0.44) CYP2C19HIF1ATAAR1KIF11KCNN4
SCHEMBL18660420 0.69 ALDH1A1 (0.40) CYP2C19HIF1AKIF11PRSS1CTSG

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-0704437-B1 Red-shifted tris-aryl-s-triazines and compositions stabilized therewith CIBA SC HOLDING AG (CH) 2002-09-25 EP disclosed
EP-0704437-A2 Red-shifted tris-aryl-s-triazines and compositions stabilized therewith CIBA-GEIGY AG (CH) 1996-04-03 EP disclosed