SCHEMBL11207355

SCHEMBL11207355

CCCOC(=O)C(=O)C(Sc1ccccc1)(Sc1ccccc1)C(=O)OCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.41
SCN1A P35498 3/20 0.39
SCN2A Q99250 3/20 0.39
SCN3A Q9NY46 3/20 0.39
CHRM1 P11229 5/20 0.37
CHRM2 P08172 4/20 0.37
CHRM3 P20309 4/20 0.37
CHRM4 P08173 3/20 0.37
TSHR P16473 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NFKB1 P19838 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL11208113 0.74 KCNN4 (0.44) ALDH1A1TSHRRAB9AMEN1KMT2A
SCHEMBL21065614 0.70 LMNA (0.53) LMNAGAASMN1; SMN2ALDH1A1CHRM1
SCHEMBL28668236 0.68 LMNA (0.55) LMNAGAASMN1; SMN2ALDH1A1SCN1A
SCHEMBL28003872 0.68 MMP8 (0.61) LMNAGAASMN1; SMN2ALDH1A1CHRM1
SCHEMBL11211696 0.68 OPRM1 (0.42) GAASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL2417813 0.67 LMNA (0.53) LMNAGAASMN1; SMN2ALDH1A1SCN1A
SCHEMBL16732185 0.67 LMNA (0.53) LMNAGAASMN1; SMN2ALDH1A1SCN1A
SCHEMBL10623735 0.67 LMNA (0.53) LMNAGAASMN1; SMN2ALDH1A1SCN1A
SCHEMBL5158545 0.67 MEN1 (0.68) LMNAGAAALDH1A1SCN1ASCN2A
SCHEMBL11208198 0.66 ALDH1A1 (0.47) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0029719-B1 VULCANIZABLE RUBBER COMPOSITIONS INHIBITED FROM PREMATURE VULCANIZATION BY METHYLENE THIOETHERS, AND NOVEL METHYLENE THIOETHERS MONSANTO COMPANY (US) 1983-02-16 EP disclosed
US-4342705-A CONTAINING CARBONYL OR CYANO FUNCTIONAL GROUPS, USEFUL AS VULCANIZATION INHIBITORS MONSANTO COMPANY (US) 1982-08-03 US disclosed
EP-0029719-A1 Vulcanizable rubber compositions inhibited from premature vulcanization by methylene thioethers, and novel methylene thioethers MONSANTO COMPANY (US) 1981-06-03 EP disclosed
US-4271050-A Vulcanizable rubber compositions inhibited from premature vulcanization by methylene thioethers MONSANTO COMPANY (US) 1981-06-02 US disclosed