SCHEMBL29290656

SCHEMBL29290656

CCCCCCN(N)C(=O)OCCCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
ALDH1A1 P00352 3/20 0.45
EPHX1 P07099 1/20 0.43
ATM Q13315 1/20 0.42
DNM1 Q05193 1/20 0.42
TSHR P16473 4/20 0.42
DGKA P23743 1/20 0.41
HTR2C P28335 1/20 0.41
HPGD P15428 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL28061253 0.96 NAAA (0.50) NAAAALDH1A1EPHX1DNM1TSHR
SCHEMBL5548317 0.85 ALDH1A1 (0.45) NAAAALDH1A1ATMTSHRHPGD
SCHEMBL28293264 0.85 DNM1 (0.37) NAAAALDH1A1EPHX1DNM1TSHR
SCHEMBL27941406 0.84 DNM1 (0.41) NAAAALDH1A1EPHX1DNM1TSHR
SCHEMBL28329411 0.83 NAAA (0.52) NAAAALDH1A1EPHX1TSHRHTR2C
SCHEMBL855004 0.82 ALDH1A1 (0.50) NAAAALDH1A1EPHX1ATMTSHR
SCHEMBL7402016 0.82 ALDH1A1 (0.42) ALDH1A1ATMTSHRHCAR2NPSR1
SCHEMBL27709794 0.81 DNM1 (0.39) NAAAALDH1A1EPHX1DNM1TSHR
SCHEMBL25229268 0.81 NAAA (0.48) NAAAALDH1A1EPHX1ATMDNM1
SCHEMBL534600 0.81 NAAA (0.48) NAAAALDH1A1EPHX1ATMDNM1

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
CN-109641835-A Method for producing carbamate 国立研究开发法人产业技术综合研究所 2019-04-16 CN disclosed