SCHEMBL7936735

SCHEMBL7936735

CCCCC(CC)Cc1cccc(C(=O)OC)c1CC(CC)CCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CA2 P00918 1/20 0.51
▸ LMNA P02545 3/20 0.47
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ TSHR P16473 5/20 0.41
▸ HTT P42858 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 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
SCHEMBL7165074 0.85 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL29672612 0.85 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL28333418 0.84 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL22289762 0.80 ALDH1A1 (0.41) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL11133124 0.80 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL9988564 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL2802826 0.77 ALDH1A1 (0.58) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL17292647 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL11133122 0.77 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL28723773 0.77 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2LMNAPRSS1

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-0601496-B2 Process for the preparation of olefin polymer MITSUI CHEMICALS INC (JP) 2001-06-27 — — EP disclosed
EP-0601496-B1 Process for the preparation of olefin polymer MITSUI PETROCHEMICAL IND (JP) 1997-04-16 — — EP disclosed
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