SCHEMBL29197012

SCHEMBL29197012

CC(C)(C)OC(=O)N1CCCC(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
STS P08842 1/20 0.42
GPR119 Q8TDV5 10/20 0.41
EPHX1 P07099 1/20 0.41
RECQL P46063 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8362649 0.87 HPGD (0.50) HPGDSTSGPR119EPHX1RECQL
SCHEMBL28694984 0.83 NR1H2 (0.40) HPGDSTSGPR119
SCHEMBL897784 0.81 HPGD (0.48) HPGDSTSGPR119EPHX1RECQL
SCHEMBL29981135 0.80 HPGD (0.54) HPGDGPR119EPHX1RECQLMAPT
SCHEMBL4008565 0.80 HPGD (0.54) HPGDGPR119EPHX1RECQLMAPT
SCHEMBL19937755 0.77 MEN1 (0.46) HPGDSTSGPR119EPHX1MAPT
SCHEMBL22532478 0.74 HPGD (0.49) HPGDSTSGPR119EPHX1RECQL
SCHEMBL57106 0.74 GPR119 (0.53) HPGDGPR119EPHX1RECQL
SCHEMBL24572712 0.74 HPGD (0.59) HPGDGPR119EPHX1RECQLMAPT
SCHEMBL17917077 0.74 USP30 (0.43) HPGDSTSGPR119EPHX1RECQL

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
CN-117940133-A Therapeutic agents for degradation of mutant BRAF C4医药公司 2024-04-26 CN disclosed