SCHEMBL8610978

SCHEMBL8610978

COc1ccc(CNC(C)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
LMNA P02545 1/20 0.57
CASR P41180 1/20 0.55
PKM P14618 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HTT P42858 1/20 0.49
CHRM2 P08172 1/20 0.49
SLC6A4 P31645 1/20 0.48

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
SCHEMBL278630 0.84 CASR (0.58) ALDH1A1LMNACASRPKML3MBTL1
Hydrochloric Acid SCHEMBL14343449 0.82 CASR (0.57) ALDH1A1LMNACASRPKML3MBTL1
SCHEMBL1458778 0.81 MEN1 (0.58) ALDH1A1LMNACASRPKML3MBTL1
SCHEMBL696773 0.81 MEN1 (0.58) ALDH1A1LMNACASRPKML3MBTL1
SCHEMBL3508651 0.81 MEN1 (0.58) ALDH1A1LMNACASRPKML3MBTL1
SCHEMBL21958285 0.81 ALDH1A1 (0.51) ALDH1A1LMNACASRPKML3MBTL1
SCHEMBL23995592 0.81 CASR (0.55) ALDH1A1LMNACASRPKML3MBTL1
SCHEMBL19289878 0.81 CASR (0.55) ALDH1A1LMNACASRPKML3MBTL1
SCHEMBL5265860 0.81 MAPK1 (0.69) ALDH1A1LMNACASRMEN1KMT2A
SCHEMBL8610696 0.81 CHRM2 (0.71) ALDH1A1LMNAL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118530239-A Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use 上海睿跃生物科技有限公司 2024-08-23 CN disclosed
CN-115626927-B Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use 上海睿跃生物科技有限公司 2024-01-02 CN disclosed
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
CN-105143215-A Bruton's tyrosine kinase inhibitors HOFFMANN LA ROCHE 2015-12-09 CN disclosed
EP-0518352-B1 Process for forming super high-contrast negative images and silver halide photographic material and developer being used therefor DAINIPPON INK & CHEMICALS (JP) 1998-04-22 EP disclosed
US-5460919-A Process of forming super high-contrast negative images and silver halide photographic material and developer being used therefor DAINIPPON INK AND CHEMICALS, INC. (JP) 1995-10-24 US disclosed
US-5372911-A Support having one or more hydrophilic colloidal layers, at least one layer contains pyridinium salt or derivative, quinolinium salt or derivative, or isoquinolinium salt or derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-12-13 US disclosed
EP-0599265-A1 Antibacterial, antifungal compound and its production method Takeda Chemical Industries, Ltd. (JP) 1994-06-01 EP disclosed
EP-0518352-A1 Process for forming super high-contrast negative images and silver halide photographic material and developer being used therefor DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-12-16 EP disclosed