SCHEMBL11599095

SCHEMBL11599095

O=C(CCCCC(=O)OCCBr)OCCBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.54
DNM1 Q05193 1/20 0.44
ADRA2A P08913 1/20 0.41
ADRA1A P35348 1/20 0.41
MAPT P10636 2/20 0.39
BLM P54132 1/20 0.39
PAM P19021 2/20 0.39
CYP2C19 P33261 1/20 0.38
CYP1A2 P05177 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 4/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
FAAH O00519 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL11598259 0.97 DGKA (0.58) DGKADNM1ADRA2AADRA1AMAPT
SCHEMBL11601599 0.97 DGKA (0.58) DGKADNM1ADRA2AADRA1AMAPT
SCHEMBL11599018 0.95 DGKA (0.48) DGKADNM1ADRA2AADRA1AMAPT
SCHEMBL11601881 0.90 DGKA (0.54) DGKADNM1ADRA2AADRA1AMAPT
SCHEMBL11791792 0.89 DGKA (0.73) DGKADNM1MAPTPAMPRSS1
SCHEMBL11599030 0.87 DGKA (0.52) DGKADNM1ADRA2AADRA1AMAPT
SCHEMBL11599108 0.87 DGKA (0.58) DGKADNM1ADRA2AADRA1AMAPT
SCHEMBL1693910 0.87 DGKA (0.64) DGKADNM1ADRA2AADRA1AMAPT
SCHEMBL31721561 0.87 DGKA (0.64) DGKADNM1ADRA2AADRA1AMAPT
SCHEMBL8446335 0.87 DGKA (0.77) DGKADNM1MAPTPAMPRSS1

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