SCHEMBL10050656

SCHEMBL10050656

COc1ccc(OC)c2c1SCCC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 7/20 0.53
HPGD P15428 3/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 2/20 0.41
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 2/20 0.40
S1PR4 O95977 1/20 0.40
HSP90AA1 P07900 1/20 0.40
G6PD P11413 1/20 0.40
S1PR1 P21453 1/20 0.40
OPRK1 P41145 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
MCL1 Q07820 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TLR9 Q9NR96 1/20 0.40

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
SCHEMBL23861133 0.87 KDM4E (0.47) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL9041064 0.87 MAPT (0.52) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL9404941 0.80 ALDH1A1 (0.43) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL12455639 0.78 KDM4E (0.35) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL7077 0.76 KDM4E (0.53) KDM4EALDH1A1HPGDGAAHTT
SCHEMBL23861125 0.76 ALDH1A1 (0.53) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL29515304 0.76 ALDH1A1 (0.53) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL9464624 0.75 KDM4E (0.57) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL5228012 0.70 CUL4A (0.37) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL10033667 0.70 CYP11B2 (0.39) KDM4EALDH1A1HPGDGLAGAA

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-8097688-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-01-17 US disclosed
US-20100227076-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-09 US disclosed