SCHEMBL10477481

SCHEMBL10477481

CC(C)CC(CC(C)C)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
TSHR P16473 2/20 0.50
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 3/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MYC P01106 2/20 0.41
NR4A1 P22736 1/20 0.41
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PTK2B Q14289 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
TAAR1 Q96RJ0 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
SCHEMBL7219089 0.93 TSHR (0.56) ALDH1A1TSHRHSD17B10TP53KMT2A
SCHEMBL15676165 0.92 ALDH1A1 (0.55) ALDH1A1TSHRALOX15HSD17B10TP53
SCHEMBL28349071 0.90 ALDH1A1 (0.49) ALDH1A1TSHRALOX15HSD17B10TP53
SCHEMBL6400455 0.88 ALDH1A1 (0.54) ALDH1A1TSHRALOX15HSD17B10TP53
SCHEMBL6400374 0.88 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10TP53
SCHEMBL7865741 0.88 ALDH1A1 (0.64) ALDH1A1TSHRALOX15HSD17B10KDM4E
SCHEMBL6405697 0.88 ALDH1A1 (0.45) ALDH1A1TSHRALOX15HSD17B10TP53
SCHEMBL6404701 0.87 ALDH1A1 (0.60) ALDH1A1TSHRALOX15HSD17B10TP53
SCHEMBL6407662 0.87 ALDH1A1 (0.60) ALDH1A1TSHRALOX15HSD17B10TP53
SCHEMBL6401499 0.87 ALDH1A1 (0.60) ALDH1A1TSHRALOX15HSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101579642-B Preparation method of magnesium halide supported catalyst PETROCHINA CO LTD 2011-01-12 CN disclosed
CN-101579642-A Preparation method of magnesium halide supported catalyst PETROCHINA CO LTD (CN) 2009-11-18 CN disclosed
US-4814015-A Waterborne nitrocellulose compositions PRILLAMAN CHEMICAL CORPORATION (US) 1989-03-21 US disclosed
US-4753817-A USING MONOMER-FREE AIR-DRYING POLYESTERS, CELLULOSE NITRATE, HYDROPEROXIDES, AND ULTRAVIOLET INITIATORS BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US disclosed