SCHEMBL27832255

SCHEMBL27832255

CC(=O)C(C(=O)Oc1ccc(F)c(OCc2ccccc2)c1F)C(=O)OC1CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.39
PTPN1 P18031 1/20 0.39
ACACB O00763 2/20 0.38
TYR P14679 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.36
HTR1A P08908 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
NPC1 O15118 1/20 0.35
PTGER1 P34995 1/20 0.35
S1PR5 Q9H228 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL27856540 0.84 MRGPRX4 (0.44) TYRMRGPRX4NPC1BRD4
SCHEMBL16096561 0.79 PTPN1 (0.45) KDM1APTPN1MRGPRX4NPC1PTGER1
SCHEMBL3617567 0.78 PTPN1 (0.61) KDM1APTPN1MRGPRX4NPC1PTGER1
SCHEMBL27832260 0.75 TYR (0.36) TYR
SCHEMBL27856528 0.71 LMNA (0.36)
SCHEMBL6199847 0.69 PTPN1 (0.63) KDM1APTPN1MRGPRX4HTR1ASLC6A2
SCHEMBL27856531 0.69 AMY1A (0.40)
SCHEMBL28791646 0.67 MEN1 (0.41) TYR
SCHEMBL16032856 0.67 LMNA (0.47) KDM1APTPN1MRGPRX4NPC1PTGER1
SCHEMBL28814038 0.66 KDM1A (0.45) KDM1APTPN1HTR1ASLC6A2SLC6A4

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-102307860-A GPR120 receptor agonists and uses thereof METABOLEX INC 2012-01-04 CN disclosed