SCHEMBL5592641

SCHEMBL5592641

O=C(CCc1nnnn1Cc1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.60
ALDH1A1 P00352 4/20 0.59
LMNA P02545 1/20 0.59
TSHR P16473 1/20 0.59
RAB9A P51151 1/20 0.59
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
HTT P42858 1/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL14605987 0.89 HSD11B1 (0.65) HSD11B1ALDH1A1LMNATSHRRAB9A
SCHEMBL14605771 0.88 HSD11B1 (0.57) HSD11B1ALDH1A1LMNATSHRRAB9A
SCHEMBL9477798 0.87 HDAC1 (0.52) HSD11B1ALDH1A1LMNATSHRRAB9A
SCHEMBL12761278 0.78 HDAC1 (0.54) ALDH1A1LMNATSHRRAB9AHDAC1
SCHEMBL5592781 0.77 ALDH1A1 (0.59) ALDH1A1LMNATSHRRAB9AHDAC1
SCHEMBL4407027 0.76 ALDH1A1 (0.62) ALDH1A1LMNATSHRHDAC1HDAC6
SCHEMBL96819 0.76 ALDH1A1 (0.57) ALDH1A1LMNATSHRRAB9AHDAC1
SCHEMBL96820 0.76 ALDH1A1 (0.57) ALDH1A1LMNATSHRRAB9AHDAC1
SCHEMBL15117306 0.75 ALDH1A1 (0.51) ALDH1A1LMNATSHRRAB9AHDAC1
SCHEMBL3096693 0.75 HDAC1 (0.52) ALDH1A1LMNATSHRRAB9AHDAC1

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