SCHEMBL27005158

SCHEMBL27005158

CCC(C)c1cccc(C(C)C2CC2)c1C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL19112120 0.87 SLC6A2 (0.34) TSHR
SCHEMBL18745640 0.83 TSHR (0.58) TSHRKDM4EL3MBTL1NISCHPKM
SCHEMBL21154977 0.82 GABRA1 (0.40) TSHR
SCHEMBL17537183 0.81 TSHR (0.50) TSHRKDM4EL3MBTL1RORC
SCHEMBL17537215 0.81 TSHR (0.50) TSHRKDM4EL3MBTL1RORC
SCHEMBL17537092 0.81 TSHR (0.50) TSHRKDM4EL3MBTL1RORC
SCHEMBL17537126 0.81 TSHR (0.50) TSHRKDM4EL3MBTL1RORC
SCHEMBL17537156 0.81 TSHR (0.50) TSHRKDM4EL3MBTL1RORC
SCHEMBL17537193 0.81 TSHR (0.50) TSHRKDM4EL3MBTL1RORC
SCHEMBL17537196 0.81 TSHR (0.50) TSHRKDM4EL3MBTL1RORC

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
EP-3189834-B1 USE OF GABAA RECEPTOR REINFORCING AGENT IN PREPARATION OF SEDATIVE AND ANESTHETIC MEDICAMENT HAISCO INNOVATIVE PHARMACEUTICAL PTE LTD (SG) 2024-01-17 EP disclosed