SCHEMBL10503552

SCHEMBL10503552

CCCCCCCCCCCCOC(=O)C1CC2C=CC1O2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
PPARG P37231 3/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
EPHX1 P07099 1/20 0.37
TSHR P16473 3/20 0.37
FAAH O00519 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL10961187 1.00 NAAA (0.39) NAAAPPARGCHRM2CHRM4CHRM5
SCHEMBL10502396 0.94 ALDH1A1 (0.37) PPARGCHRM2CHRM4CHRM5CHRM1
SCHEMBL11907282 0.88 PPM1B (0.41) ALDH1A1LMNA
SCHEMBL13888547 0.86
SCHEMBL13888540 0.86
SCHEMBL11907583 0.85 ALDH1A1 (0.34) NAAAFAAHALDH1A1
SCHEMBL13888544 0.84
SCHEMBL7994853 0.84
SCHEMBL11908112 0.84 RAB9A (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13897054 0.83

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-0104583-B1 PROCESS FOR THE PREPARATION OF 7-OXABICYCLO(2.2.1)HEPT-5-ENE DERIVATIVES Chemische Fabrik Stockhausen GmbH (DE) 1989-09-06 EP disclosed
EP-0104583-A2 Process for the preparation of 7-oxabicyclo(2.2.1)hept-5-ene derivatives Chemische Fabrik Stockhausen GmbH (DE) 1984-04-04 EP disclosed