SCHEMBL21753091

SCHEMBL21753091

O=C(OCCOCc1ccccc1)c1ccccc1C(=O)OCCOCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
TSHR P16473 8/20 0.62
TDP1 Q9NUW8 6/20 0.62
L3MBTL1 Q9Y468 4/20 0.62
CYP3A4 P08684 4/20 0.62
MAPK1 P28482 3/20 0.62
TP53 P04637 2/20 0.57
NPC1 O15118 2/20 0.57
HPGD P15428 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HSD17B10 Q99714 2/20 0.57
GLA P06280 1/20 0.57
HIF1A Q16665 1/20 0.57
KMT2A Q03164 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL28915593 0.95 ALDH1A1 (0.73) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL11985701 0.91 ALDH1A1 (0.72) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL11985711 0.91 ALDH1A1 (0.72) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28107072 0.89 ALDH1A1 (0.51) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL23945258 0.86 TDP1 (0.70) ALDH1A1TSHRTDP1L3MBTL1MAPK1
SCHEMBL6027113 0.84 TSHR (0.71) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL1446744 0.84 TDP1 (0.68) ALDH1A1TSHRTDP1L3MBTL1MAPK1
SCHEMBL17955287 0.84 L3MBTL1 (0.58) ALDH1A1TSHRTDP1L3MBTL1NPC1
SCHEMBL8506264 0.83 TSHR (0.54) ALDH1A1TSHRTDP1L3MBTL1MAPK1
SCHEMBL290777 0.83 TSHR (0.77) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115697989-A Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use 上海睿跃生物科技有限公司 2023-02-03 CN disclosed
CN-115626927-A Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use 上海睿跃生物科技有限公司 2023-01-20 CN disclosed
EP-4110772-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE Cullgen (Shanghai), Inc. (CN) 2023-01-04 EP disclosed
CN-114641337-A CEREBLON E3 ligase inhibitors 密歇根大学董事会 2022-06-17 CN 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