SCHEMBL11599313

SCHEMBL11599313

O=C(CCCCC(=O)OCCCCCCBr)OCCCCCCBr

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.56
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
FAAH O00519 2/20 0.46
DNM1 Q05193 1/20 0.46
NAAA Q02083 1/20 0.45
HTR2C P28335 1/20 0.44
PAM P19021 2/20 0.41
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX2 P34913 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL31721608 1.00 DGKA (0.56) DGKAPRSS1PRSS2PRSS3FAAH
SCHEMBL11600912 1.00 DGKA (0.56) DGKAPRSS1PRSS2PRSS3FAAH
SCHEMBL11601494 1.00 DGKA (0.56) DGKAPRSS1PRSS2PRSS3FAAH
SCHEMBL11599000 1.00 DGKA (0.56) DGKAPRSS1PRSS2PRSS3FAAH
SCHEMBL11601486 1.00 DGKA (0.56) DGKAPRSS1PRSS2PRSS3FAAH
SCHEMBL11144891 1.00 DGKA (0.56) DGKAPRSS1PRSS2PRSS3FAAH
SCHEMBL11599455 1.00 DGKA (0.56) DGKAPRSS1PRSS2PRSS3FAAH
SCHEMBL11601874 1.00 DGKA (0.56) DGKAPRSS1PRSS2PRSS3FAAH
SCHEMBL11598253 1.00 DGKA (0.56) DGKAPRSS1PRSS2PRSS3FAAH
SCHEMBL12863493 1.00 DGKA (0.56) DGKAPRSS1PRSS2PRSS3FAAH

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