SCHEMBL29038869

SCHEMBL29038869

CCc1ccccc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.56
PPARA Q07869 3/20 0.55
PPARG P37231 1/20 0.55
LTA4H P09960 6/20 0.50
PTGS2 P35354 1/20 0.45
FFAR4 Q5NUL3 4/20 0.45
FFAR1 O14842 3/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
DPP4 P27487 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
TRPA1 O75762 1/20 0.42

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
Ammonia Solution, Strong SCHEMBL9080704 0.98 GSTP1 (0.55) GSTP1PPARAPPARGLTA4HPTGS2
SCHEMBL13675365 0.83 ABL1 (0.56) PPARAPPARGFFAR4FFAR1TSHR
SCHEMBL9618332 0.82 DPP4 (0.56) PPARAPPARGPTGS2LMNAHTT
SCHEMBL31261742 0.82 DPP4 (0.60) PPARAPPARGPTGS2DPP4TRPA1
SCHEMBL328862 0.82 DPP4 (0.60) PPARAPPARGPTGS2DPP4TRPA1
SCHEMBL2498575 0.81 GSTP1 (0.52) GSTP1PPARAPPARGLTA4HPTGS2
SCHEMBL5833074 0.81 FFAR1 (0.58) PPARAPPARGLTA4HFFAR4FFAR1
SCHEMBL4652576 0.80 DPP4 (0.52) PPARAPPARGPTGS2DPP4TRPA1
Ethane SCHEMBL3681665 0.80 DPP4 (0.58) PPARAPPARGPTGS2DPP4TRPA1
Water SCHEMBL9719797 0.80 DPP4 (0.58) PPARAPPARGPTGS2DPP4TRPA1

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-114345370-B Method for reduction cross coupling of photocatalytic aromatic olefin and halogenated hydrocarbon 陕西师范大学 2023-07-21 CN disclosed