SCHEMBL9301236

SCHEMBL9301236

CCCCCC(C)c1ccc(C(=O)c2ccc(C(C)CCCCC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.53
MLYCD O95822 1/20 0.42
CA1 P00915 2/20 0.40
HSD17B3 P37058 6/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 1/20 0.38
EPHX1 P07099 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL14534972 0.94 ALDH1A1 (0.49) BDKRB2ALDH1A1RAB9ALMNA
SCHEMBL13299831 0.88 ALDH1A1 (0.50) BDKRB2ALDH1A1RAB9ALMNA
SCHEMBL23472114 0.88 RARB (0.50) ALDH1A1
SCHEMBL20178570 0.86 TP53 (0.53) ALDH1A1
SCHEMBL8363876 0.86 GAA (0.42) BDKRB2MLYCDHSD17B3ALDH1A1EPHX1
SCHEMBL15987949 0.86 TP53 (0.53) ALDH1A1
SCHEMBL12671705 0.86 GAA (0.42) BDKRB2MLYCDHSD17B3ALDH1A1EPHX1
SCHEMBL28262824 0.86 TP53 (0.53) ALDH1A1
SCHEMBL19464655 0.86 HSD17B10 (0.48) BDKRB2MLYCDCA1HSD17B3ALDH1A1
Hydrochloric Acid SCHEMBL10528458 0.85 TP53 (0.51) ALDH1A1

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-5356951-A (Meth)acrylate monomer; composite filler; glass powder; fine particle filler; photoinitiator; surface smoothness; less shrinkage GC CORPORATION (JP) 1994-10-18 US disclosed