SCHEMBL7860299

SCHEMBL7860299

O=C(CCCC(=O)OCCCS)OCCCS

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.46
DNM1 Q05193 1/20 0.42
TSHR P16473 3/20 0.40
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
FOLH1 Q04609 1/20 0.39
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
HTR2C P28335 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
NAAA Q02083 1/20 0.37
CYP1A2 P05177 1/20 0.37
NPC1 O15118 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL3517280 0.95 DGKA (0.46) DGKADNM1TSHRADRA2AADRA1A
SCHEMBL11352492 0.95 DGKA (0.52) DGKADNM1TSHRADRA2AADRA1A
SCHEMBL3516020 0.93 DGKA (0.50) DGKADNM1TSHRADRA2AADRA1A
SCHEMBL11357831 0.93 DGKA (0.56) DGKADNM1TSHRADRA2AADRA1A
SCHEMBL11169949 0.92 ADRA2A (0.46) DGKADNM1TSHRADRA2AADRA1A
SCHEMBL2868536 0.91 DGKA (0.54) DGKADNM1TSHRADRA2AADRA1A
SCHEMBL3516269 0.90 DGKA (0.41) DGKADNM1TSHRADRA2AADRA1A
SCHEMBL30517203 0.90 DGKA (0.46) DGKADNM1TSHRADRA2AADRA1A
SCHEMBL26871450 0.89 DGKA (0.59) DGKADNM1TSHRMAPTHTR2C
SCHEMBL3517120 0.88 DGKA (0.50) DGKADNM1TSHRADRA2AADRA1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018302-A1 BIORESORBABLE, STEREOCHEMICALLY DEFINED ELASTOMERS AND METHODS OF MAKING AND USING SAME UNIV DUKE (US) 2024-01-18 US disclosed
US-20240018302-A1 BIORESORBABLE, STEREOCHEMICALLY DEFINED ELASTOMERS AND METHODS OF MAKING AND USING SAME UNIV DUKE (US) 2024-01-18 US disclosed
US-20230383056-A1 BIORESORBABLE,STEREOCHEMICALLY DEFINED ELASTOMERS AND METHODS OF MAKING AND USING SAME DUKE UNIVERSITY (US) 2023-11-30 US disclosed
US-20230383056-A1 BIORESORBABLE,STEREOCHEMICALLY DEFINED ELASTOMERS AND METHODS OF MAKING AND USING SAME DUKE UNIVERSITY (US) 2023-11-30 US disclosed
EP-1093453-A1 NAALADASE INHIBITORS USEFUL AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS GUILFORD PHARMACEUTICALS INC. (US) 2001-04-25 EP disclosed
WO-2000001668-A2 NAALADASE INHIBITORS USEFUL AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS GUILFORD PHARMACEUTICALS INC. (US) 2000-01-13 WO disclosed