SCHEMBL27755692

SCHEMBL27755692

C=C[C@@H](OC(=O)CCC(=O)O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 14/20 0.47
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ITGB3 P05106 1/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ ITGA2B P08514 1/20 0.38

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
SCHEMBL27755693 1.00 TBXAS1 (0.47) TBXAS1LMNASMN1; SMN2ITGB3ITGAV
SCHEMBL28522739 0.83 SMN1; SMN2 (0.45) TBXAS1LMNASMN1; SMN2
SCHEMBL27776383 0.76 TBXAS1 (0.47) TBXAS1
SCHEMBL9472075 0.76 HDAC3 (0.39) TBXAS1LMNASMN1; SMN2
SCHEMBL6391621 0.73 ALDH1A1 (0.42) LMNA
SCHEMBL11545206 0.72 NR4A2 (0.46) LMNASMN1; SMN2
SCHEMBL11414486 0.72 LMNA (0.40) LMNASMN1; SMN2
SCHEMBL10617730 0.71 CYP2C19 (0.41) LMNASMN1; SMN2
SCHEMBL30479401 0.71 TBXAS1 (0.44) TBXAS1LMNASMN1; SMN2
SCHEMBL27572934 0.70 TBXAS1 (0.58) TBXAS1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101519683-B Method for resolving and purifying chiral aromatic alcohol compound and partial intermediate products and final products thereof ASYMCHEM LIFE SCIENCE AND TECNOLOGY (TIANJIN) CO., LTD. (CN) 2011-12-07 — — CN disclosed
CN-101519683-A Method for resolving and purifying chiral aromatic alcohol compound and partial intermediate products and final products thereof ASYMCHEM LIFE SCIENCE TIANJIN 2009-09-02 — — CN disclosed
Send feedback