SCHEMBL6132238

SCHEMBL6132238

C=CC(C)c1ccc(C(=O)O)c(C(=O)O)c1C(C)C=C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.36
ALDH1A1 P00352 1/20 0.33
GRM1 Q13255 1/20 0.33
ELANE P08246 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL6132208 0.87 ACE2 (0.36) ACE2ALDH1A1GRM1ELANEFABP3
SCHEMBL6132146 0.81 CYP1A2 (0.41) ACE2ALDH1A1GRM1ELANECYP1A2
SCHEMBL1446639 0.74 ACE2 (0.47) ACE2ALDH1A1GRM1FABP3FABP4
SCHEMBL1047111 0.73 ACE2 (0.39) ACE2ALDH1A1GRM1FABP3FABP4
SCHEMBL27961101 0.73 ALDH1A1 (0.46) ALDH1A1ELANE
SCHEMBL8054469 0.72 ACE2 (0.50) ACE2ALDH1A1GRM1ELANECYP1A2
SCHEMBL17912492 0.72 CA12 (0.47) ACE2ALDH1A1ELANECYP1A2
SCHEMBL9067858 0.72 SLC37A4 (0.33) GRM1
SCHEMBL8551746 0.72 HCAR2 (0.33) ACE2ALDH1A1GRM1
SCHEMBL9017947 0.71 ACE2 (0.38) ACE2ALDH1A1GRM1FABP3FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050175850-A1 Flexible metal laminate and heat-resistant adhesive composition TOMOEGAWA PAPER CO., LTD (JP) 2005-08-11 US disclosed