SCHEMBL10606689

SCHEMBL10606689

CCCCC(C)CC(O)C=CC1C=CC(=O)C1=CCCCC=CC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ EP300 Q09472 1/20 0.37
▸ NFKB1 P19838 3/20 0.35
▸ NFKB2 Q00653 3/20 0.35
▸ RELA Q04206 3/20 0.35
▸ PTGIR P43119 1/20 0.35
▸ TRPA1 O75762 5/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NR4A1 P22736 1/20 0.34
▸ PTPN7 P35236 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ PTGER4 P35408 2/20 0.34
▸ PTGER3 P43115 2/20 0.34
▸ PTGER2 P43116 1/20 0.34

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
SCHEMBL10606677 1.00 MAPT (0.37) MAPTHPGDEP300NFKB1NFKB2
SCHEMBL10603623 0.84 PTGER4 (0.35) HPGDPTGIRTRPA1MEN1ALDH1A1
SCHEMBL10605053 0.84 PTGER4 (0.35) HPGDPTGIRTRPA1MEN1ALDH1A1
SCHEMBL10619854 0.83 PTGIR (0.49) MAPTHPGDEP300NFKB1NFKB2
SCHEMBL10619857 0.83 PTGIR (0.49) MAPTHPGDEP300NFKB1NFKB2
SCHEMBL10619378 0.78 TRPA1 (0.43) MAPTHPGDEP300PTGIRTRPA1
SCHEMBL10619386 0.78 TRPA1 (0.43) MAPTHPGDEP300PTGIRTRPA1
SCHEMBL9546147 0.76 MEN1 (0.31) MEN1KMT2A
SCHEMBL9546150 0.76 MEN1 (0.31) MEN1KMT2A
SCHEMBL9546036 0.76 PTGER4 (0.30) PTGER4PTGER3PTGER2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0131441-B1 5-ALKYLIDENE-2-HALO-4-SUBSTITUTED-2-CYCLOPENTENONE AND PROCESS FOR PRODUCTION THEREOF TEIJIN LIMITED (JP) 1989-10-18 — — EP disclosed
US-4689426-A ANTITUMOR AGENTS, VIRCIDES, BACTERICIDES TEIJIN LIMITED (JP) 1987-08-25 — — US disclosed
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