SCHEMBL29233400

SCHEMBL29233400

[c]1ccc(-c2c(C3CCCCC3)cccc2C2CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ PTGS2 P35354 1/20 0.36
▸ CEL P19835 2/20 0.35
▸ PTPN5 P54829 3/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ GRIA1 P42261 1/20 0.33
▸ CACNG8 Q8WXS5 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ KMO O15229 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ CXCR4 P61073 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
SCHEMBL27865683 0.82 POLB (0.46) PTGS2CELPTPN5PTPN2PTGDR2
SCHEMBL13685103 0.73 PTGS2 (0.49) PTGS2PTPN5PTPN2PTGDR2POLB
SCHEMBL25799378 0.71 POLB (0.41) PTGS2PTPN5PTPN2PTGDR2POLB
SCHEMBL30215707 0.71 MEN1 (0.45) PTGS2PTPN5PTPN2PTGDR2POLB
SCHEMBL28136045 0.71 PTPN5 (0.41) PTGS2PTPN5PTPN2PTGDR2HTR1A
SCHEMBL11126671 0.71 PDCD1 (0.42) PDCD1CD274PTGS2PTPN5PTPN2
SCHEMBL1532193 0.71 PTGS2 (0.46) PTGS2CELPTPN5PTPN2PTGDR2
SCHEMBL6096638 0.71 NOTUM (0.46) CYP11B2
SCHEMBL7838640 0.71 NOTUM (0.46) CYP11B2
SCHEMBL933266 0.70 XDH (0.37) PDCD1CD274PTGDR2

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-116574136-A Bivalent platinum complex and preparation method and application thereof 南京佳诺霖光电科技有限公司 2023-08-11 — — CN claimed
Send feedback