SCHEMBL7941145

SCHEMBL7941145

CCCCC1OC(C)CC(C)O1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP1A2 P05177 1/20 0.34
EPHX1 P07099 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3088943 0.91 ALDH1A1 (0.50) ALDH1A1EBPSIGMAR1CYP1A2EPHX1
SCHEMBL5604227 0.91 ALDH1A1 (0.50) ALDH1A1EBPSIGMAR1CYP1A2EPHX1
SCHEMBL3088946 0.91 ALDH1A1 (0.50) ALDH1A1EBPSIGMAR1CYP1A2EPHX1
SCHEMBL27215949 0.91 ALDH1A1 (0.50) ALDH1A1EBPSIGMAR1CYP1A2EPHX1
SCHEMBL10018689 0.87
SCHEMBL12920699 0.86 ALDH1A1 (0.36) ALDH1A1EBPSIGMAR1EPHX1
SCHEMBL12354696 0.85 EBP (0.30) EBPSIGMAR1
SCHEMBL11264394 0.79 ALDH1A1 (0.42) ALDH1A1EBPSIGMAR1CYP1A2EPHX1
SCHEMBL3504388 0.77 ALDH1A1 (0.45) ALDH1A1EBPSIGMAR1SMN1; SMN2
SCHEMBL14272692 0.77 ALDH1A1 (0.45) ALDH1A1EBPSIGMAR1SMN1; SMN2

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-6255268-B1 CONTAINING 1,3-DICHLORO-5,5-DIMETHYLHYDANTOIN AND ORGANOLEPTIC AGENT LONZA INC. 2001-07-03 US disclosed