SCHEMBL27367313

SCHEMBL27367313

Cc1ccc2c(c1)CCC(C(=O)CC(=O)OC(C)(C)C)C2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MCHR1 Q99705 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FAAH O00519 6/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.34
EPHX2 P34913 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL22860677 0.79 MCHR1 (0.38) NPC1RAB9AMCHR1KMT2AFAAH
SCHEMBL27366363 0.78 FAAH (0.36) NPC1RAB9AMCHR1FAAH
SCHEMBL9218363 0.77 FAAH (0.44) KMT2AFAAHCA1CA2ACHE
SCHEMBL5889332 0.77 FAAH (0.44) KMT2AFAAHCA1CA2ACHE
SCHEMBL27367322 0.76 CCKBR (0.35) CCKBRNPC1RAB9AMCHR1LMNA
SCHEMBL9215130 0.75 CYP1A2 (0.41) FAAH
SCHEMBL13262741 0.74 CA1 (0.48) KMT2ACA1CA2ACHEEPHX2
SCHEMBL3195898 0.72 GHSR (0.49) KMT2AFAAHEPHX2
SCHEMBL20909776 0.72 ACHE (0.44) MCHR1FAAHCA1CA2ACHE
SCHEMBL25554148 0.72 MTNR1A (0.44) KMT2AFAAHCA1CA2ACHE

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-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed