SCHEMBL10772972

SCHEMBL10772972

CCCCCCC=C[C@H]1C=CC(=O)C1=CCCCCC(=C=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ PPARG P37231 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MIF P14174 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ABHD16A O95870 1/20 0.38
▸ EP300 Q09472 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TYR P14679 2/20 0.36
▸ CNR1 P21554 4/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ POLM Q9NP87 1/20 0.34
▸ POLK Q9UBT6 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
SCHEMBL10605434 1.00 NFKB1 (0.46) NFKB1NFKB2RELAPPARGMAPT
SCHEMBL10603470 0.86 NFKB1 (0.49) NFKB1NFKB2RELAPPARGMAPT
SCHEMBL10608167 0.86 NFKB1 (0.49) NFKB1NFKB2RELAPPARGMAPT
SCHEMBL10772968 0.86 NFKB1 (0.49) NFKB1NFKB2RELAPPARGMAPT
SCHEMBL10772965 0.86 NFKB1 (0.49) NFKB1NFKB2RELAPPARGMAPT
SCHEMBL10603475 0.86 NFKB1 (0.49) NFKB1NFKB2RELAPPARGMAPT
SCHEMBL10608164 0.86 NFKB1 (0.49) NFKB1NFKB2RELAPPARGMAPT
SCHEMBL10622161 0.82 PPARG (0.55) NFKB1NFKB2RELAPPARGMAPT
SCHEMBL10622158 0.82 PPARG (0.55) NFKB1NFKB2RELAPPARGMAPT
SCHEMBL11009683 0.81 NFKB1 (0.51) NFKB1NFKB2RELAPPARGMAPT

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
US-4689426-A ANTITUMOR AGENTS, VIRCIDES, BACTERICIDES TEIJIN LIMITED (JP) 1987-08-25 — — US disclosed
EP-0131441-A2 5-Alkylidene-2-halo-4-substituted-2-cyclopentenone and process for production thereof TEIJIN LIMITED (JP) 1985-01-16 — — EP disclosed
Send feedback