SCHEMBL13517554

SCHEMBL13517554

CC=C(C(=O)OCCCC)C(C(=O)OCCCC)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 4/20 0.41
HPGD P15428 2/20 0.41
HCAR2 Q8TDS4 3/20 0.39
ESR1 P03372 1/20 0.35
NAAA Q02083 1/20 0.34
NPSR1 Q6W5P4 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAD52 P43351 1/20 0.33

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
SCHEMBL13518204 0.87 ATM (0.41) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL13517406 0.87 ATM (0.41) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL16160127 0.82 ATM (0.48) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL2278244 0.82 ALDH1A1 (0.54) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL27817802 0.79 ATM (0.46) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL13269599 0.79 NPSR1 (0.42) ALDH1A1TSHRHPGDNPSR1MAPT
SCHEMBL13518689 0.78 TSHR (0.47) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL13519364 0.78 ATM (0.41) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL28405304 0.76 EPHX1 (0.53) ATMALDH1A1TSHRHCAR2NAAA
SCHEMBL16159987 0.76 TSHR (0.53) ATMALDH1A1TSHRHCAR2NAAA

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-8394734-B2 Solid catalyst for propylene polymerization and a method for preparation of polypropylene using the same SAMSUNG TOTAL PETROCHEMICALS CO., LTD. (KR) 2013-03-12 US disclosed
US-20120277389-A1 SOLID CATALYST FOR PROPYLENE POLYMERIZATION AND A METHOD FOR PREPARATION OF POLYPROPYLENE USING THE SAME SAMSUNG TOTAL PETROCHEMICALS CO., LTD. (KR) 2012-11-01 US disclosed