SCHEMBL28046263

SCHEMBL28046263

[CH2]N(C)C(=O)OCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TSHR P16473 5/20 0.50
HPGD P15428 2/20 0.50
ATM Q13315 1/20 0.48
HCAR2 Q8TDS4 1/20 0.42
NAAA Q02083 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
MCL1 Q07820 1/20 0.40
EPHX1 P07099 1/20 0.39
DNM1 Q05193 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
CYP1A2 P05177 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
SCHEMBL8908162 0.82 CHRNB2 (0.58) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL5044760 0.79 ALDH1A1 (0.48) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL288939 0.78 ALDH1A1 (0.52) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL10918173 0.78 ALDH1A1 (0.52) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL16119487 0.78 ALDH1A1 (0.52) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL8773038 0.77 ALDH1A1 (0.50) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL28836165 0.77 HCAR2 (0.50) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL9596409 0.77 ALDH1A1 (0.56) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL9396263 0.77 ALDH1A1 (0.50) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL14138540 0.77 ALDH1A1 (0.50) ALDH1A1TSHRHPGDATMHCAR2

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-105324366-A Phenylimidazole derivative and therapeutic or prophylactic agent for inflammatory diseases and the like NIPPON SODA CO 2016-02-10 CN disclosed