SCHEMBL29139892

SCHEMBL29139892

CCCCCCCCCCCCCCOCCCOC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
CES2 O00748 2/20 0.52
MAPT P10636 2/20 0.50
EPHX1 P07099 1/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 3/20 0.48
HTR2C P28335 1/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
FAAH O00519 1/20 0.44

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
SCHEMBL18683466 1.00 NAAA (0.53) NAAACES2MAPTEPHX1MEN1
SCHEMBL18683561 1.00 NAAA (0.53) NAAACES2MAPTEPHX1MEN1
SCHEMBL18683464 0.92 HTT (0.55) NAAACES2MAPTEPHX1MEN1
SCHEMBL8430002 0.92 HTT (0.55) NAAACES2MAPTEPHX1MEN1
SCHEMBL420529 0.92 ALDH1A1 (0.52) NAAACES2MAPTEPHX1TSHR
SCHEMBL35190 0.92 NAAA (0.61) NAAAMAPTEPHX1TSHRHTR2C
SCHEMBL104550 0.92 NAAA (0.61) NAAAMAPTEPHX1TSHRHTR2C
SCHEMBL473104 0.92 NAAA (0.61) NAAAMAPTEPHX1TSHRHTR2C
SCHEMBL473289 0.92 NAAA (0.61) NAAAMAPTEPHX1TSHRHTR2C
SCHEMBL76043 0.92 NAAA (0.61) NAAAMAPTEPHX1TSHRHTR2C

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
CN-117377491-A Immunogenic compositions 葛兰素史克生物有限公司 2024-01-09 CN disclosed
CN-116113430-A Coronavirus vaccine 奎尔法克股份有限公司 2023-05-12 CN disclosed