SCHEMBL6651699

SCHEMBL6651699

CCOC(=O)Cn1nccc1-c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
PKM P14618 1/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 5/20 0.46
TARBP2 Q15633 2/20 0.45
IDO1 P14902 1/20 0.45
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PDCD4 Q53EL6 1/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
PPARG P37231 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL28455199 0.88 ALDH1A1 (0.56) MAPTALDH1A1IDO1GAAKDM4E
SCHEMBL10439147 0.85 SMN1; SMN2 (0.59) ALDH1A1GAAKDM4ESMN1; SMN2POLB
SCHEMBL6618657 0.83 KDM4E (0.50) MAPTALDH1A1GAAKDM4EHSD17B10
SCHEMBL6497228 0.77 ALDH1A1 (0.55) NPC1MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL8234965 0.76 ATM (0.54) NPC1PKMMAPTALDH1A1GAA
SCHEMBL2823777 0.75 MAPK1 (0.51) ALDH1A1GAAKDM4ESMN1; SMN2HSD17B10
SCHEMBL9877360 0.74 SMN1; SMN2 (0.65) NPC1MAPTALDH1A1GAAKDM4E
SCHEMBL7206290 0.74 MAPK1 (0.49) ALDH1A1GAAKDM4ESMN1; SMN2HSD17B10
SCHEMBL10439316 0.74 ALDH1A1 (0.48) NPC1PKMMAPTALDH1A1GAA
SCHEMBL4492226 0.73 ALDH1A1 (0.54) NPC1PKMALDH1A1GAAKDM4E

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
EP-1485379-A1 BETA 3-ADRENERGIC RECEPTOR AGONISTS Pfizer Products Inc. (US) 2004-12-15 EP disclosed
WO-2003072572-A1 BETA3-ADRENERGIC RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2003-09-04 WO disclosed