SCHEMBL20156866

SCHEMBL20156866

C=C(C)/C=C\C=C(/C)NCCC

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.31
PAOX Q6QHF9 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
SCHEMBL24328016 0.78 ACE2 (0.31) EPHX1
SCHEMBL19375668 0.78 ZDHHC20 (0.33) EPHX1PAOX
SCHEMBL24689474 0.78 KMT2A (0.32)
SCHEMBL19375584 0.73 EPHX1 (0.32) EPHX1PAOX
SCHEMBL22782141 0.72 MMP1 (0.33) EPHX1PAOX
SCHEMBL19292851 0.71 PAOX (0.31) PAOX
SCHEMBL25651686 0.70
SCHEMBL28155461 0.70
SCHEMBL25043302 0.69
SCHEMBL13213157 0.68

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
WO-2021202977-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-10-07 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed