SCHEMBL7966153

SCHEMBL7966153

C=COC(=O)NCCCCC

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.60
ZDHHC20 Q5W0Z9 1/20 0.56
ZDHHC2 Q9UIJ5 1/20 0.56
ACHE P22303 8/20 0.50
CASP2 P42575 1/20 0.46

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
SCHEMBL3746705 0.98 EPHX1 (0.63) EPHX1ZDHHC20ZDHHC2ACHECASP2
SCHEMBL3663444 0.98 EPHX1 (0.63) EPHX1ZDHHC20ZDHHC2ACHECASP2
SCHEMBL13583543 0.98 EPHX1 (0.63) EPHX1ZDHHC20ZDHHC2ACHECASP2
SCHEMBL28396215 0.94 ACHE (0.57) EPHX1ZDHHC20ZDHHC2ACHE
SCHEMBL3686778 0.86
SCHEMBL24386122 0.83 EPHX1 (0.44) EPHX1ZDHHC20ZDHHC2ACHE
SCHEMBL13055391 0.81 TSHR (0.35) EPHX1ZDHHC20ZDHHC2ACHE
SCHEMBL5077587 0.81 EPHX1 (0.66) EPHX1ZDHHC20ZDHHC2ACHECASP2
SCHEMBL11780042 0.81 EPHX1 (0.66) EPHX1ZDHHC20ZDHHC2ACHECASP2
SCHEMBL16071290 0.80 EPHX1 (0.38) EPHX1ZDHHC20ZDHHC2ACHE

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
US-6288141-B1 Ink compositions XEROX CORPORATION 2001-09-11 US claimed
US-6288141-B1 Ink compositions XEROX CORPORATION 2001-09-11 US disclosed