SCHEMBL22605172

SCHEMBL22605172

CC(C)(C)OC(=O)NCCN(CC1CCCCCCCC1)C(=O)CCN(C[C@H](O)COc1cccc2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ADRB2 P07550 5/20 0.39
▸ ADRB1 P08588 4/20 0.39
▸ SIGMAR1 Q99720 4/20 0.39
▸ CYP2D6 P10635 4/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ HTR2B P41595 3/20 0.39
▸ NR2E1 Q9Y466 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ ADRB3 P13945 3/20 0.39
▸ HTR2A P28223 3/20 0.39
▸ HTR2C P28335 3/20 0.39
▸ HTR6 P50406 3/20 0.39
▸ HTR1A P08908 3/20 0.39
▸ ABCB1 P08183 3/20 0.39
▸ SCN1A P35498 2/20 0.39
▸ SLC10A1 Q14973 2/20 0.39
▸ SCN2A Q99250 2/20 0.39

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
SCHEMBL22605173 0.90 MEN1 (0.43) MEN1KMT2AADRB2ADRB1SIGMAR1
SCHEMBL27098253 0.88 TSHR (0.42) ADRB2ADRB1SIGMAR1CYP2D6CYP1A2
SCHEMBL22452370 0.83 ADRB2 (0.38) ADRB2ADRB1SIGMAR1CYP2D6CYP1A2
SCHEMBL22452289 0.83 ADRB2 (0.38) ADRB2ADRB1SIGMAR1CYP2D6CYP1A2
SCHEMBL22452408 0.79 NR2E1 (0.50) MEN1KMT2AADRB2ADRB1SIGMAR1
SCHEMBL22452287 0.79 NR2E1 (0.50) MEN1KMT2AADRB2ADRB1SIGMAR1
SCHEMBL27098252 0.77 TSHR (0.45) MEN1KMT2AADRB2ADRB1SIGMAR1
SCHEMBL22452285 0.74 MEN1 (0.53) MEN1KMT2AADRB2ADRB1SIGMAR1
SCHEMBL22604990 0.72 NR2E1 (0.49) MEN1KMT2AADRB2ADRB1SIGMAR1
SCHEMBL30668208 0.70 EPHX1 (0.49) MEN1KMT2AOPRM1OPRK1TDP1

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
US-20200340982-A1 PHOTOAFFINITY PROBES PROMEGA CORPORATION 2020-10-29 — — US disclosed
Send feedback