SCHEMBL7567525

SCHEMBL7567525

CC1(C(=O)O)CC2C=CC1C2.CC1CC2C=CC1C2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL12191694 0.86 P2RX7 (0.41) P2RX7CYP2D6CYP2C19
SCHEMBL5423530 0.86 P2RX7 (0.41) P2RX7CYP2D6CYP2C19
SCHEMBL76783 0.86 P2RX7 (0.41) P2RX7CYP2D6CYP2C19
SCHEMBL32688678 0.86 P2RX7 (0.41) P2RX7CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL3901856 0.84 P2RX7 (0.40) P2RX7CYP2D6CYP2C19
Acetic Acid SCHEMBL17385972 0.75 KDM4E (0.42) KDM4ELMNA
SCHEMBL19381628 0.73 P2RX7 (0.42) P2RX7CYP2D6CYP2C19
SCHEMBL3901853 0.72 P2RX7 (0.41) P2RX7CYP2D6CYP2C19
SCHEMBL9984755 0.72 P2RX7 (0.41) P2RX7CYP2D6CYP2C19
SCHEMBL9984759 0.72 P2RX7 (0.41) P2RX7CYP2D6CYP2C19

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-20020103317-A1 Polymeric compositions for forming optical waveguides; optical waveguides formed therefrom; and methods for making same SUMITOMO BAKELITE CO., LTD. (JP) 2002-08-01 US disclosed