SCHEMBL21753191

SCHEMBL21753191

CC(C)(C)OC(=O)c1ccc(N2CCN(C(=O)C(F)(F)F)CC2[N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
GPR119 Q8TDV5 5/20 0.34
LIPE Q05469 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
GFER P55789 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CNR1 P21554 1/20 0.32
MGLL Q99685 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
SCHEMBL28569815 0.84 ALDH1A1 (0.38) MAPTALDH1A1LMNACA12CA1
SCHEMBL28576696 0.82 GPR119 (0.38) MAPTALDH1A1LMNACA12CA1
SCHEMBL21753071 0.77 MAPT (0.37) MAPTALDH1A1LMNACA12CA1
SCHEMBL21753103 0.74 GPR119 (0.36) ALDH1A1GPR119HDAC6MGLLUSP30
SCHEMBL28581582 0.72 GPR119 (0.42) GPR119
SCHEMBL29079682 0.70 MAPT (0.64) MAPTALDH1A1LMNAGPR119LIPE
SCHEMBL28947519 0.69 KCNJ1 (0.46) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL28569818 0.68 CA12 (0.40) ALDH1A1CA12CA1CA2CA9
SCHEMBL17626047 0.67 MAPT (0.67) MAPTALDH1A1LMNAGPR119MEN1
SCHEMBL6910042 0.67 MAPT (0.67) MAPTALDH1A1LMNAGPR119MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4157888-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS Cullgen (Shanghai), Inc. (CN) 2023-04-05 EP disclosed
EP-4110772-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE Cullgen (Shanghai), Inc. (CN) 2023-01-04 EP disclosed
WO-2021239117-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI) , INC. (CN) 2021-12-02 WO disclosed
EP-3841098-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE Cullgen (Shanghai), Inc. (CN) 2021-06-30 EP disclosed
CN-112888681-A Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use 上海睿跃生物科技有限公司 2021-06-01 CN disclosed
WO-2020038415-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2020-02-27 WO disclosed