SCHEMBL21902161

SCHEMBL21902161

C=C(CCC(=C)C(C)C)NCCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
EPHX1 P07099 6/20 0.35
ACHE P22303 6/20 0.33
CASP2 P42575 1/20 0.33
MMP2 P08253 1/20 0.33
HPGD P15428 1/20 0.33
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32

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
SCHEMBL19321844 0.94 EPHX1 (0.41) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL19992975 0.93 EPHX1 (0.43) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL18427025 0.93 EPHX1 (0.43) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL18768946 0.84 EPHX1 (0.42) MEN1KMT2AEPHX1CASP2FAAH
SCHEMBL21902153 0.83
SCHEMBL19453287 0.80 EPHX1 (0.32) EPHX1
SCHEMBL24238536 0.79 EPHX1 (0.43) MEN1KMT2AHTTEPHX1ACHE
SCHEMBL7790310 0.79 CASP2 (0.45) MEN1KMT2AHTTEPHX1ACHE
SCHEMBL19988365 0.79 EPHX1 (0.43) MEN1KMT2AHTTEPHX1ACHE
SCHEMBL20848179 0.78 ADRA1A (0.34) EPHX1CASP2MAPK1

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
US-20230203579-A1 NANOARRAYS AND METHODS OF USE THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 US disclosed
US-10961338-B2 Bottlebrush polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-03-30 US disclosed
US-20200123297-A1 BOTTLEBRUSH POLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-04-23 US disclosed