SCHEMBL28847899

SCHEMBL28847899

CCCCCCCCCCCCCCC1CCCCCOO1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 4/20 0.41
TDP1 Q9NUW8 1/20 0.37
RAD52 P43351 1/20 0.35
PPARG P37231 1/20 0.34
NAAA Q02083 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PTAFR P25105 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
SCHEMBL27534879 1.00 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2TDP1RAD52
SCHEMBL28180682 1.00 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2TDP1RAD52
SCHEMBL27557550 1.00 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2TDP1RAD52
SCHEMBL3802705 1.00 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2TDP1RAD52
SCHEMBL17474391 1.00 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2TDP1RAD52
SCHEMBL27773356 1.00 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2TDP1RAD52
SCHEMBL27434430 1.00 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2TDP1RAD52
SCHEMBL28426490 1.00 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2TDP1RAD52
SCHEMBL3713923 1.00 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2TDP1RAD52
SCHEMBL706599 0.98 EPHX1 (0.50) EPHX1ALDH1A1CYP1A2TDP1RAD52

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
CN-108135833-A The pharmaceutical composition of the fiber obtained by Hydroelectric power is included, the composition has the residence time improved on application site 德姆特里特有限公司 2018-06-08 CN disclosed
CN-107072937-A The active material of given dose is applied to the composition of skin or mucous membrane by being used for comprising the fiber obtained by Hydroelectric power 德姆特里特有限公司 2017-08-18 CN disclosed