SCHEMBL25567710

SCHEMBL25567710

Cc1cccc(CC23CC4CC(CC(C4)C2)C3)c1O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TRPA1 O75762 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
CNR2 P34972 2/20 0.36
NPC1 O15118 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL14510877 0.76 MEN1 (0.62) P2RX7MEN1KMT2AEPHX2ALDH1A1
SCHEMBL9038705 0.71 P2RX7 (0.43) P2RX7MEN1KMT2AEPHX2ALDH1A1
SCHEMBL263474 0.70 GABRA1 (0.73) KMT2AALDH1A1TRPA1GABRA1GABRB2
SCHEMBL31229333 0.70 GABRA1 (0.73) KMT2AALDH1A1TRPA1GABRA1GABRB2
SCHEMBL3249734 0.70 CYP2D6 (0.47) P2RX7MEN1KMT2AEPHX2ALDH1A1
SCHEMBL3175880 0.69 P2RX7 (0.48) P2RX7MEN1KMT2AEPHX2
SCHEMBL11446784 0.69 P2RX7 (0.44) P2RX7MEN1KMT2AEPHX2ALDH1A1
SCHEMBL27419644 0.69 MEN1 (0.44) P2RX7MEN1KMT2AEPHX2ALDH1A1
SCHEMBL28630789 0.69 ALDH1A1 (0.56) ALDH1A1TRPA1GABRA1GABRB2
SCHEMBL27463437 0.69 KMT2A (0.55) P2RX7MEN1KMT2AEPHX2CNR2

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
US-20230174715-A1 MULTIFUNCTIONAL POLY(AREYLENE ETHER) RESINS, METHOD OF MAKING AND ARTICLES OBTAINED THEREFROM SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2023-06-08 US disclosed