SCHEMBL9015728

SCHEMBL9015728

CC(C)(C)OOOC(=O)c1ccccc1C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.46
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
ELANE P08246 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CFTR P13569 1/20 0.33
NPC1 O15118 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL29390328 0.91 TSHR (0.53) TSHRALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL629428 0.91 TSHR (0.53) TSHRALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL7756852 0.90 TSHR (0.58) TSHRALDH1A1TDP1HSD17B10ALOX15
SCHEMBL5435699 0.85 ALDH1A1 (0.51) TSHRALDH1A1TDP1HSD17B10ALOX15
SCHEMBL11413929 0.83 ALDH1A1 (0.46) TSHRALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL544515 0.81 TSHR (0.47) TSHRALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL3924014 0.81 ALDH1A1 (0.56) TSHRALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL29631091 0.80 TSHR (0.68) TSHRALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL155434 0.80 TSHR (0.68) TSHRALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL1469285 0.79 HSD17B10 (0.45) TSHRALDH1A1TDP1HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516856-A IMPROVED PROCESS FOR THE MODIFICATION OF THE MOLECULAR CHAIN OF A POLYMER ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-05-14 US disclosed
US-5051531-A As polymerization catalysts and for crosslinking ATOCHEM NORTH AMERICA, INC. (US) 1991-09-24 US disclosed
US-4129586-A Peroxide free radical initiators containing ultraviolet light stabilizing groups PENNWALT CORPORATION (US) 1978-12-12 US disclosed
US-4055714-A POLYMERIZATION CATALYSTS PENNWALT CORPORATION (US) 1977-10-25 US disclosed
US-4045426-A POLYMERIZATION CATALYSTS PENNWALT CORPORATION (US) 1977-08-30 US disclosed
US-4045427-A POLYMERIZATION CATALYSTS PENNWALT CORPORATION (US) 1977-08-30 US disclosed
US-4042773-A REACTION WITH POLYMERS PENNWALT CORPORATION (US) 1977-08-16 US disclosed
US-3956269-A POLYMERIZATION CATALYSTS PENNWALT CORPORATION (US) 1976-05-11 US disclosed