SCHEMBL29032508

SCHEMBL29032508

N#Cc1ccc(C2OC(=O)c3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP19A1 P11511 2/20 0.41
LRRK2 Q5S007 1/20 0.38
PGR P06401 1/20 0.37
TSHR P16473 1/20 0.36
TNKS O95271 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAOB P27338 1/20 0.35
NR3C1 P04150 1/20 0.35
PIM1 P11309 1/20 0.34

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
SCHEMBL247073 0.81 ALDH1A1 (1.00) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL28014092 0.80 ALDH1A1 (0.61) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL11545901 0.78 ALDH1A1 (0.73) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL10786395 0.78 ALDH1A1 (0.73) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL10895239 0.78 ALDH1A1 (0.73) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL863475 0.78 ALDH1A1 (0.73) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL7106401 0.78 ALDH1A1 (0.73) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL4620793 0.78 FADS1 (0.47) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL17737240 0.75 ALDH1A1 (0.73) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL9303033 0.74 ALDH1A1 (0.67) ALDH1A1CA1CA2CA9KDM4E

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-116438244-A Crosslinkable organosiloxane modified reactive resins 瓦克化学股份公司 2023-07-14 CN disclosed