SCHEMBL28836796

SCHEMBL28836796

NCC(O)(C(=O)OO)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
KIF11 P52732 2/20 0.38
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36

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
Ethylenediamine SCHEMBL28113859 0.96 KIF11 (0.43) KCNN4TAAR1KMT2AMAPTKIF11
SCHEMBL21656187 0.83 KCNN4 (0.58) KCNN4TAAR1KMT2AMAPTCYP2C19
SCHEMBL14510428 0.80 PIN1 (0.50) KCNN4TAAR1KMT2AMAPTMEN1
SCHEMBL5275267 0.80 CYP2C19 (0.46) KCNN4TAAR1KMT2AMAPTKIF11
SCHEMBL9516972 0.80 PIN1 (0.50) KCNN4TAAR1KMT2AMAPTMEN1
SCHEMBL7401352 0.79 CYP1A2 (0.46) KCNN4TAAR1KMT2AMAPTKIF11
Hydrochloric Acid SCHEMBL21632081 0.78 CYP1A2 (0.45) KCNN4TAAR1KMT2AMAPTKIF11
SCHEMBL9513234 0.75 KCNN4 (0.47) KCNN4KMT2AMAPTCYP2C19HIF1A
SCHEMBL6893556 0.75 TSHR (0.49) KMT2ACYP2C19KDM4ELMNAMAPK1
SCHEMBL15562485 0.73 OPRM1 (0.49) KCNN4TAAR1KMT2AMAPTKIF11

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-106232150-A Comprise the hygienic articles of effective odor-control system 安泰士有限公司 2016-12-14 CN disclosed