SCHEMBL18808043

SCHEMBL18808043

CCC(N)(O)CCCC(N)(O)CC

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30
SMPD1 P17405 2/20 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
SCHEMBL6151052 0.88
SCHEMBL1199963 0.86 FDPS (0.46) FDPSSMPD1
SCHEMBL6438163 0.86
SCHEMBL12135459 0.84 FDPS (0.48) FDPSSMPD1
SCHEMBL20198537 0.84 FDPS (0.48) FDPSSMPD1
Ammonia Solution, Strong SCHEMBL28504683 0.82 FDPS (0.47) FDPSSMPD1
SCHEMBL765962 0.81
SCHEMBL669529 0.79
Hydrochloric Acid SCHEMBL14976755 0.79 FDPS (0.39) FDPSALDH1A1MEN1CYP1A2THRB
SCHEMBL4644554 0.79

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-3162875-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2017-05-03 EP disclosed