SCHEMBL22003258

SCHEMBL22003258

Cc1cccc2oc3c(c12)CCC=C3

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 1/20 0.34
ACHE P22303 2/20 0.31
ELANE P08246 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
SCHEMBL21253850 0.86 ATM (0.36)
SCHEMBL24223086 0.81
SCHEMBL24022944 0.79 ESR1 (0.32)
SCHEMBL22356808 0.79
SCHEMBL18714079 0.79 KDR (0.35)
SCHEMBL20960181 0.76 MTHFD2 (0.33) MTHFD2ACHE
SCHEMBL21253836 0.75 CCR1 (0.39)
SCHEMBL26497731 0.74 MTHFD2 (0.30) MTHFD2
SCHEMBL21650719 0.73
SCHEMBL20982381 0.72 ELANE (0.30) ELANE

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
EP-3174115-B1 CHARGE TRANSPORT MATERIAL NISSAN CHEMICAL CORP (JP) 2020-05-20 EP disclosed