SCHEMBL5592736

SCHEMBL5592736

CCOC(=O)C(CC(=O)c1ccccc1)c1nnnn1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
LMNA P02545 5/20 0.49
TSHR P16473 4/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 1/20 0.45
CYP19A1 P11511 3/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
GHSR Q92847 1/20 0.44
POLB P06746 1/20 0.44
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
PKM P14618 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
SCHEMBL14605917 0.86 ALDH1A1 (0.55) ALDH1A1LMNATSHRRAB9AMEN1
SCHEMBL6250715 0.72 KMT2A (0.69) ALDH1A1LMNATSHRMEN1NPC1
SCHEMBL5954845 0.72 CYP19A1 (0.60) ALDH1A1LMNATSHRRAB9AMEN1
SCHEMBL27787149 0.71 GHSR (0.44) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL5908646 0.70 USP2 (0.52) ALDH1A1LMNATSHRRAB9AMEN1
SCHEMBL4408776 0.69 ALDH1A1 (0.60) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL3079086 0.68 ALDH1A1 (0.50) ALDH1A1LMNATSHRRAB9AMEN1
SCHEMBL10969069 0.68 ALDH1A1 (0.59) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL5549102 0.68 KMT2A (0.71) ALDH1A1LMNATSHRRAB9AMEN1
SCHEMBL6014923 0.68 KMT2A (0.75) ALDH1A1LMNATSHRRAB9AMEN1

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
WO-2007029021-A1 1,5-SUBSTITUTED TETRAZOLES AS THERAPEUTIC COMPOUNDS THE UNIVERSITY OF EDINBURGH (GB) 2007-03-15 WO disclosed
WO-2007029021-A1 1,5-SUBSTITUTED TETRAZOLES AS THERAPEUTIC COMPOUNDS THE UNIVERSITY OF EDINBURGH (GB) 2007-03-15 WO disclosed