SCHEMBL7870401

SCHEMBL7870401

CCCCC(C)OC(=O)c1ccc(C(=O)OC(C)CCCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
ALDH1A1 P00352 5/20 0.55
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
LMNA P02545 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPK1 P28482 2/20 0.46
ESR1 P03372 1/20 0.46
CYP2D6 P10635 1/20 0.46
NR1H2 P55055 1/20 0.46
RNASEL Q05823 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 1/20 0.46
PRKCA P17252 1/20 0.45

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
SCHEMBL8202642 0.93 CA12 (0.59) TSHRALDH1A1CA12CA1CA2
SCHEMBL7870404 0.93 ALDH1A1 (0.57) TSHRALDH1A1MAPK1MAPT
SCHEMBL8946967 0.93 CA12 (0.59) TSHRALDH1A1CA12CA1CA2
SCHEMBL1704751 0.93 ALDH1A1 (0.64) TSHRALDH1A1CA12CA1CA2
SCHEMBL9068778 0.92 LMNA (0.58) TSHRALDH1A1CA12CA1CA2
SCHEMBL2578004 0.91 ALDH1A1 (0.62) TSHRALDH1A1LMNACYP1A2CYP2D6
SCHEMBL16366695 0.91 ALDH1A1 (0.62) TSHRALDH1A1LMNACYP1A2CYP2D6
SCHEMBL25612616 0.91 TSHR (0.56) TSHRALDH1A1CA1CA2MAPT
SCHEMBL7175934 0.90 ALDH1A1 (0.57) TSHRALDH1A1MAPTL3MBTL1PDCD1
SCHEMBL7171711 0.90 ALDH1A1 (0.57) TSHRALDH1A1MAPTL3MBTL1PDCD1

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
EP-0811639-B1 SOLID CATALYTIC COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST TOHO TITANIUM CO LTD (JP) 2001-08-01 EP disclosed
US-5965478-A A POLYMERIZATION CATALYST IS A REACTION PRODUCT OF A TITANIUM HALIDE, A DIESTER OF AROMATIC DICARBOXYLIC ACID AND A DIALKOXYMAGNESIUM PARTICLES HAVING A HIGH BULK DENSITY; POLYOLEFIN HAVING A HIGH STEREOREGULARITY, HIGH BULK DENSITY TOHO TITANIUM CO., LTD. (JP) 1999-10-12 US disclosed
EP-0811639-A1 SOLID CATALYTIC COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST TOHO TITANIUM CO., LTD. (JP) 1997-12-10 EP disclosed