SCHEMBL10067196

SCHEMBL10067196

CCCCCCCCCCCCCCC(C)c1c(C(C)(C)C)cc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.37
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CA2 P00918 2/20 0.33
CYP1A2 P05177 2/20 0.33
TSHR P16473 2/20 0.33
CA1 P00915 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 2/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
HSPA5 P11021 2/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28006409 0.84 ALDH1A1 (0.38) GPR84NR5A2NR5A1GLRA3GLRB
SCHEMBL28045345 0.79 CA2 (0.41) GPR84NR5A2NR5A1CYP2C9CYP2C19
SCHEMBL14976954 0.79 CA2 (0.41) GPR84NR5A2NR5A1CYP2C9CYP2C19
SCHEMBL10774687 0.79 CA2 (0.41) GPR84NR5A2NR5A1CYP2C9CYP2C19
SCHEMBL11848726 0.79 CA2 (0.41) GPR84NR5A2NR5A1CYP2C9CYP2C19
SCHEMBL3117187 0.79 CA2 (0.41) GPR84NR5A2NR5A1CYP2C9CYP2C19
SCHEMBL11805953 0.79 CA2 (0.41) GPR84NR5A2NR5A1CYP2C9CYP2C19
SCHEMBL10775543 0.79 CA2 (0.41) GPR84NR5A2NR5A1CYP2C9CYP2C19
SCHEMBL10081832 0.77 CA2 (0.42) GPR84NR5A2NR5A1CYP2C9CYP2C19
SCHEMBL15065053 0.75 CYP1A2 (0.38) GPR84NR5A2NR5A1CYP2C9CYP2C19

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
EP-2169016-B1 Phase change inks XEROX CORP (US) 2012-02-29 EP disclosed