SCHEMBL3783963

SCHEMBL3783963

Cc1ccc(C2C3CC4CC(C3)CC2(C(=O)O)C4)cc1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.36
EPHX2 P34913 2/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
CCR2 P41597 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
MGLL Q99685 1/20 0.33
GAA P10253 1/20 0.33
F2R P25116 1/20 0.32
HSD11B1 P28845 1/20 0.32
LMNA P02545 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
SCHEMBL23246104 0.81 P2RX7 (0.42) P2RX7EPHX2NR1H4GAAHSD11B1
SCHEMBL19149260 0.80 FAAH (0.41) P2RX7EPHX2LMNA
SCHEMBL6085545 0.75 POLB (0.41) P2RX7
SCHEMBL3798119 0.71 DGAT1 (0.51)
SCHEMBL19148915 0.69 EPHX1 (0.41) P2RX7EPHX2HSD11B1LMNA
SCHEMBL59961 0.67 CYP2C9 (0.36) P2RX7EPHX2GAAHSD11B1
SCHEMBL1088728 0.66 THRB (0.35) EPHX2GAAHSD11B1
SCHEMBL3179851 0.65 KMT2A (0.35) EPHX2HSD11B1LMNA
SCHEMBL11428920 0.65
SCHEMBL28231046 0.65 ESR1 (0.42) GAALMNA

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
WO-2010095041-A2 COMPOSITIONS, METHODS, AND KITS FOR TREATING INFLUENZA VIRAL INFECTIONS EXCRX (SINGAPORE) PTE.LTD. (SG) 2010-08-26 WO disclosed