SCHEMBL29233735

SCHEMBL29233735

COC[C@H](C)NC(=O)OC1CCN(c2cc(C(F)(F)F)cs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ UGT8 Q16880 7/20 0.48
▸ CCNE1 P24864 5/20 0.38
▸ CDK2 P24941 5/20 0.38
▸ APOL1 O14791 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.36
▸ LIPC P11150 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ ACACB O00763 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL21813599 0.73 UGT8 (0.54) UGT8CCNE1CDK2LIPCLIPG
SCHEMBL21813597 0.73 UGT8 (0.54) UGT8CCNE1CDK2LIPCLIPG
SCHEMBL21862454 0.72 UGT8 (0.65) UGT8
SCHEMBL21862452 0.66 UGT8 (1.00) UGT8
SCHEMBL30686905 0.66 UGT8 (1.00) UGT8
SCHEMBL21813775 0.65 UGT8 (0.63) UGT8HRH3ACACB
SCHEMBL21813779 0.65 UGT8 (0.63) UGT8HRH3ACACB
SCHEMBL13753672 0.61 HPGD (0.65) SMN1; SMN2
SCHEMBL30519107 0.59 EPHX1 (0.46) CCNE1CDK2CYP2C19
SCHEMBL27311169 0.59 EPHX1 (0.46) CCNE1CDK2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113423711-B Thieno [3,2-B ] pyridine derivatives as UDP glycosyltransferase inhibitors and methods of use thereof 建新公司 2024-03-15 — — CN disclosed
CN-113423711-A Thieno [3,2-B ] pyridine derivatives as UDP glycosyltransferase inhibitors and methods of use thereof 建新公司 2021-09-21 — — CN disclosed
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