SCHEMBL5147066

SCHEMBL5147066

CCCCC(CC)Cc1ccccc1OC=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 3/20 0.43
CA2 P00918 1/20 0.43
TSHR P16473 3/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL7784137 0.83 ALDH1A1 (0.44) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL4006592 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL5936011 0.80 CYP3A4 (0.44) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL5147064 0.80 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL10955889 0.80 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL29385746 0.79 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL153633 0.79 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL10955895 0.79 ALDH1A1 (0.45) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL5936012 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL29746097 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4CA2TSHRLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205083-B2 Recording material FUJIFILM CORPORATION (JP) 2007-04-17 US disclosed
US-20040082472-A1 Recording material FUJI PHOTO FILM CO., LTD. 2004-04-29 US disclosed
US-20040048185-A1 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD 2004-03-11 US disclosed