SCHEMBL2831004

SCHEMBL2831004

[CH2]SC(=O)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
CES2 O00748 3/20 0.54
CES1 P23141 3/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
KMT2A Q03164 4/20 0.48
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
PKM P14618 2/20 0.48
ATM Q13315 2/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 2/20 0.48
NLRP1 Q9C000 1/20 0.48
GAA P10253 1/20 0.48
NTSR1 P30989 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL775535 0.80 ALDH1A1 (0.59) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL777846 0.80 ALDH1A1 (0.59) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL775142 0.78 ALDH1A1 (0.56) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL27498417 0.76 ALDH1A1 (0.54) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL1478848 0.76 ALDH1A1 (0.54) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL17422144 0.76 ALDH1A1 (0.54) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL9727178 0.76 CES2 (0.54) ALDH1A1CES2CES1LMNAATM
SCHEMBL7767008 0.76 ALDH1A1 (0.48) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL6077105 0.75 CES1 (0.50) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL25491800 0.74 ALDH1A1 (0.64) ALDH1A1CES2CES1LMNASMN1; 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
US-7741005-B2 A planographic printing plate precursor comprising: an aluminum support; and a photosensitive layer including a polymerization initiator, a polymerizable compound and a binder polymer; an oxygen barrier layer; and a protective layer including a filler; capable of image formation FUJIFILM CORPORATION (JP) 2010-06-22 US disclosed
US-20070231740-A1 A planographic printing plate precursor comprising: an aluminum support; and a photosensitive layer including a polymerization initiator, a polymerizable compound and a binder polymer; an oxygen barrier layer; and a protective layer including a filler; capable of image formation FUJIFILM CORPORATION (JP) 2007-10-04 US disclosed