SCHEMBL28047044

SCHEMBL28047044

CCCCCC(C)(C(CC(=O)O)C(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.43
HSPD1 P10809 1/20 0.42
BLM P54132 1/20 0.42
HSPE1 P61604 1/20 0.42
AKR1B1 P15121 1/20 0.39
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
PPARG P37231 4/20 0.38
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
TSHR P16473 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
TLR2 O60603 1/20 0.38
MEN1 O00255 1/20 0.38
ESR1 P03372 1/20 0.38
FABP4 P15090 1/20 0.38

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
SCHEMBL28779420 0.98 GPR84 (0.46) GPR84HSPD1BLMHSPE1PPARG
SCHEMBL27997511 0.98 GPR84 (0.46) GPR84HSPD1BLMHSPE1PPARG
SCHEMBL24667111 0.84 GPR84 (0.46) GPR84HSPD1BLMHSPE1PPARG
SCHEMBL28248774 0.84 GPR84 (0.46) GPR84HSPD1BLMHSPE1PPARG
SCHEMBL414048 0.80 GPR84 (0.42) GPR84HSPD1BLMHSPE1AKR1B1
SCHEMBL24401338 0.79 GPR84 (0.40) GPR84HSPD1BLMHSPE1AKR1B1
SCHEMBL11790218 0.79 GPR84 (0.44) GPR84HSPD1BLMHSPE1PPARG
SCHEMBL8968596 0.79 HSPD1 (0.47) GPR84HSPD1BLMHSPE1PPARG
SCHEMBL8375187 0.79 GPR84 (0.41) GPR84HSPD1BLMHSPE1AKR1B1
SCHEMBL29128602 0.79 GPR84 (0.44) GPR84HSPD1BLMHSPE1PPARG

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
CN-105121430-A Modulators of the retinoid-related orphan receptor gamma (ror-gamma) for use in the treatment of autoimmune and inflammatory diseases GLAXO GROUP LTD 2015-12-02 CN disclosed