SCHEMBL7214561

SCHEMBL7214561

CO[C@H]1O[C@](COC(=O)c2ccccc2)(C(O)C(=O)c2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.36
▸ ADRB2 P07550 2/20 0.36
▸ ADRB1 P08588 2/20 0.36
▸ ADRB3 P13945 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ SLC22A1 O15245 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PRKCA P17252 3/20 0.34
▸ SYNJ2 O15056 3/20 0.34
▸ ROCK2 O75116 1/20 0.33

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
SCHEMBL6099706 0.79 LMNA (0.42) ALDH1A1LMNATDP1TSHRSLC22A1
SCHEMBL6099711 0.79 LMNA (0.42) ALDH1A1LMNATDP1TSHRSLC22A1
SCHEMBL6100619 0.76 LMNA (0.42) ALDH1A1LMNAADRB2ADRB1ADRB3
SCHEMBL6100614 0.76 LMNA (0.42) ALDH1A1LMNAADRB2ADRB1ADRB3
SCHEMBL16063068 0.72 ABCB1 (0.41) ALDH1A1LMNASLC22A1SYNJ2
SCHEMBL17860796 0.71 ALDH1A1 (0.41) ALDH1A1LMNAADRB2ADRB1ADRB3
SCHEMBL22799522 0.70 NPC1 (0.42) ALDH1A1LMNASLC22A1MAPK1KMT2A
SCHEMBL16063064 0.70 ABCB1 (0.37) ALDH1A1LMNAADRB2ADRB1ADRB3
SCHEMBL6099509 0.68 MAPT (0.42) ALDH1A1LMNATDP1TSHRMAPK1
SCHEMBL8941400 0.68 ALDH1A1 (0.41) ALDH1A1LMNAADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212326-A4 PYRROLO 2,3-d]PYRIMIDINE NUCLEOSIDE ANALOGS ICN PHARMACEUTICALS (US) 2003-08-20 — — EP disclosed
EP-1212326-A1 PYRROLO 2,3-d]PYRIMIDINE NUCLEOSIDE ANALOGS ICN Pharmaceuticals, Inc. (US) 2002-06-12 — — EP disclosed
WO-2001027114-A1 PYRROLO[2,3-d]PYRIMIDINE NUCLEOSIDE ANALOGS ICN PHARMACEUTICALS, INC. (US) 2001-04-19 — — WO disclosed
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