SCHEMBL14344628

SCHEMBL14344628

CCC(C)(C)CCC(=O)OCCCCOC(=O)CCC(C)(C)CC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.44
▸ DGKA P23743 1/20 0.44
▸ HTR2C P28335 1/20 0.43
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ RAD52 P43351 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ DNM1 Q05193 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ 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
SCHEMBL14048718 0.98 NAAA (0.47) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL14472726 0.94 NAAA (0.40) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL14286140 0.88 HTR2C (0.36) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL14286142 0.87 HTR2C (0.39) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL14565821 0.85 DGKA (0.46) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL28718240 0.84 DGKA (0.59) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL2622471 0.83 DGKA (0.44) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL14018445 0.82 HTR2C (0.39) NAAADGKAHTR2CADRA2AADRA1A
SCHEMBL21226023 0.81 DGKA (0.47) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL18862484 0.81 HRH2 (0.41) NAAADGKAHTR2CADRA1AMAPT

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
WO-2007143659-A2 CROSSLINKED, DEGRADABLE POLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-12-13 — — WO disclosed
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