SCHEMBL11599018

SCHEMBL11599018

O=C(CCCC(=O)OCCBr)OCCBr

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.48
TSHR P16473 2/20 0.42
ADRA2A P08913 1/20 0.41
ADRA1A P35348 1/20 0.41
DNM1 Q05193 1/20 0.39
MAPT P10636 2/20 0.39
BLM P54132 1/20 0.39
CYP2C19 P33261 1/20 0.38
CYP1A2 P05177 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
FAAH O00519 1/20 0.35
PAM P19021 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HTR2C P28335 1/20 0.34
MGLL Q99685 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL11599095 0.95 DGKA (0.54) DGKATSHRADRA2AADRA1ADNM1
SCHEMBL11601599 0.92 DGKA (0.58) DGKATSHRADRA2AADRA1ADNM1
SCHEMBL11598259 0.92 DGKA (0.58) DGKATSHRADRA2AADRA1ADNM1
SCHEMBL11599297 0.90 DGKA (0.48) DGKATSHRADRA2AADRA1ADNM1
SCHEMBL11514649 0.86
SCHEMBL20573319 0.86 DGKA (0.56) DGKATSHRADRA2AADRA1ADNM1
SCHEMBL27683082 0.86 DGKA (0.42) DGKATSHRADRA2AADRA1ADNM1
SCHEMBL11786268 0.86 DGKA (0.63) DGKATSHRDNM1MAPTCYP1A2
SCHEMBL11598979 0.85 DGKA (0.50) DGKATSHRADRA2AADRA1ADNM1
SCHEMBL11791792 0.84 DGKA (0.73) DGKATSHRDNM1MAPTFAAH

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
US-4104233-A VINYL HALIDE POLYMERS, SMOKE AND FIRE RETARDANTS MONSANTO COMPANY (US) 1978-08-01 US disclosed