SCHEMBL9720093

SCHEMBL9720093

CC1CC(=O)CCC(C)(C)C1.CC1CCC(=O)CC(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CRBN Q96SW2 1/20 0.31

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
SCHEMBL7745492 0.86 MAPT (0.35) ALDH1A1GAATDP1CRBN
SCHEMBL7751266 0.86 CRBN (0.34) ALDH1A1GAATDP1CRBN
SCHEMBL4868570 0.78 ALDH1A1 (0.42) ALDH1A1GAATDP1CRBN
SCHEMBL27781831 0.78 ALDH1A1 (0.42) ALDH1A1GAATDP1CRBN
SCHEMBL24862 0.78 ALDH1A1 (0.42) ALDH1A1GAATDP1CRBN
SCHEMBL9720079 0.77 ALDH1A1 (0.34) ALDH1A1GAATDP1
Water SCHEMBL27960090 0.77 ALDH1A1 (0.41) ALDH1A1GAATDP1CRBN
Ethylene SCHEMBL28206554 0.75 ALDH1A1 (0.41) ALDH1A1GAATDP1CRBN
SCHEMBL9464012 0.73 CYP3A4 (0.33)
Sulfuric Acid SCHEMBL28235756 0.70 ALDH1A1 (0.38) ALDH1A1GAATDP1CRBN

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-5134195-A Blend of polycarbonate, polyurethane and graft polymer BAYER AKTIENGESELLSCHAFT (DE) 1992-07-28 US disclosed