SCHEMBL31331573

SCHEMBL31331573

CCC(CC)C(=O)C(F)C(=O)C(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
CA2 P00918 6/20 0.37
MAPK1 P28482 1/20 0.37
CA1 P00915 4/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL721401 0.81 TSHR (0.48) TSHRUSP2CA2MAPK1CA1
SCHEMBL2600361 0.73 TSHR (0.42) TSHRUSP2CA2MAPK1CA1
SCHEMBL16338598 0.73 TSHR (0.42) TSHRUSP2CA2MAPK1CA1
SCHEMBL2992968 0.72 LAP3 (0.39) TSHRUSP2CA2CA1
SCHEMBL8459086 0.69 TSHR (0.39) TSHRUSP2CA2MAPK1CA1
SCHEMBL8683568 0.69 CA2 (0.46) TSHRUSP2CA2MAPK1CA1
SCHEMBL8462369 0.69 CA2 (0.41) TSHRUSP2CA2MAPK1CA1
SCHEMBL11457168 0.69 TSHR (0.39) TSHRUSP2CA2MAPK1CA1
SCHEMBL9389418 0.67 TSHR (0.42) TSHRUSP2CA2MAPK1CA1
SCHEMBL24723761 0.65 SLC7A5 (0.46) TSHRUSP2CA2MAPK1CA1

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
CN-119285680-A Iridium complex, preparation method thereof and organic electroluminescent device 吉林奥来德光电材料股份有限公司 2025-01-10 CN disclosed