SCHEMBL26200344

SCHEMBL26200344

CCCC(=O)Nc1ncnn2c(C3CCC(COC(C)=O)O3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34
▸ POLB P06746 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ ADRB3 P13945 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL26200336 0.91 PDE2A (0.31) —
SCHEMBL24606310 0.81 DOT1L (0.36) —
SCHEMBL24606323 0.80 TSHR (0.32) TSHR
SCHEMBL24982214 0.80 PDE2A (0.31) —
SCHEMBL25009374 0.79 TMPRSS2 (0.30) —
SCHEMBL24791052 0.78 MGLL (0.36) LMNA
SCHEMBL24791279 0.75 L3MBTL1 (0.34) ALDH1A1HPGD
SCHEMBL25914368 0.74 NPC1 (0.34) MAPTSMN1; SMN2
SCHEMBL24606280 0.74 DOT1L (0.35) —
SCHEMBL25919377 0.73 MGLL (0.35) TSHRHTTNCOA1NCOA3SMN1; SMN2

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
WO-2023167938-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
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