SCHEMBL29115403

SCHEMBL29115403

O=[N+]([O-])C1(Br)COC(OCCc2ccccc2)OC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA4 P22459 2/20 0.55
KCNA1 Q09470 2/20 0.55
KCNAB1 Q14722 2/20 0.55
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
CYP19A1 P11511 4/20 0.33
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
PIN1 Q13526 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GAA P10253 1/20 0.31

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
Hydrochloric Acid SCHEMBL6862796 0.78 KCNA4 (0.57) KCNA4KCNA1KCNAB1KDM4EALDH1A1
Phenylethyl Alcohol SCHEMBL28667148 0.70 KCNA4 (0.47) KCNA4KCNA1KCNAB1KDM4EALDH1A1
SCHEMBL3626504 0.65 TDP1 (0.41) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL1491311 0.63 CA1 (0.46) CYP19A1CYP11B1CYP11B2PIN1CA1
Phenetole SCHEMBL28667149 0.61 KCNA4 (0.46) KCNA4KCNA1KCNAB1KDM4EALDH1A1
SCHEMBL660826 0.59 TDP1 (0.52) ALDH1A1CA1CA2CA9MAOA
SCHEMBL6722027 0.59 OPRM1 (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6722023 0.59 OPRM1 (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL26110537 0.59 GRM2 (0.50) ALDH1A1KMT2APOLBGAARAB9A
SCHEMBL7458158 0.58 OPRM1 (0.46) MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710039-A Personal care compositions 雷克特本克斯尔健康有限公司 2023-09-05 CN disclosed
CN-109414432-B Antimicrobial compounds and methods of use thereof 港大科桥有限公司 2022-03-08 CN disclosed
CN-113423469-A Topical disinfectant compositions 雷克特本克斯尔健康有限公司 2021-09-21 CN disclosed