SCHEMBL6912291

SCHEMBL6912291

O=CC(F)C(F)C(F)Sc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PKM P14618 1/20 0.30
▸ CYP2A6 P11509 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
SCHEMBL10498281 0.73 SMN1; SMN2 (0.41) LMNASMN1; SMN2MAPTHPGDMGLL
SCHEMBL809567 0.68 LMNA (0.39) LMNASMN1; SMN2MAPTHPGDMGLL
SCHEMBL777177 0.68 SMN1; SMN2 (0.46) LMNASMN1; SMN2MAPTHPGDMGLL
SCHEMBL11013481 0.67 LMNA (0.42) LMNASMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL6915326 0.67 MAOA (0.46) ALDH1A1NPC1RAB9A
SCHEMBL23964577 0.65 SMN1; SMN2 (0.38) LMNASMN1; SMN2MAPTHPGDMGLL
SCHEMBL9550729 0.65 SMN1; SMN2 (0.33) LMNASMN1; SMN2MAPTHPGDMGLL
SCHEMBL809548 0.65 LMNA (0.37) LMNASMN1; SMN2MAPTHPGDMGLL
SCHEMBL776362 0.64 MAOA (0.41) LMNASMN1; SMN2MAPTHPGDMGLL
SCHEMBL10936991 0.64 SMN1; SMN2 (0.41) LMNASMN1; SMN2MAPTHPGDMGLL

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
US-6818423-B2 LOW-MOLECULAR-WEIGHT C4-C6-KETONES DERIVATIZED WITH REMOVABLE GROUP ARE REACTED WITH CYANIDE GROUP DONOR IN PRESENCE OF HYDROXYNITRILE LYASE OR BY RACEMIC REACTION, ACIDIC HYDROLYSIS, OPTIONALLY RESOLUTION, AND CLEAVAGE OF THE GROUP DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AU) 2004-11-16 — — US disclosed
US-20030092142-A1 Process for the preparation of chiral alpha-hydroxycarboxylic acids DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2003-05-15 — — US disclosed
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