SCHEMBL4628682

SCHEMBL4628682

CCOC(=O)c1cc(C)c(Cl)cc1C(=O)OCCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
ALOX15 P16050 3/20 0.40
ESR1 P03372 2/20 0.40
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4628042 1.00 CYP4F2 (0.41) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL4628595 0.96 ESR1 (0.39) ALOX15ESR1RAB9AKMT2ATSHR
SCHEMBL4628613 0.93 ESR1 (0.48) ESR1RAB9AKMT2ATSHRTDP1
SCHEMBL4628085 0.93 ESR1 (0.48) ESR1RAB9AKMT2ATSHRTDP1
SCHEMBL4625675 0.93 CYP4F2 (0.43) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL4627128 0.90 ALDH1A1 (0.40) ESR1KMT2ATSHRCYP3A4TP53
SCHEMBL4625761 0.90 TSHR (0.43) CA1CA2CA12CA9ALOX15
SCHEMBL4627190 0.88 CYP4F2 (0.40) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL6912804 0.88 CYP4F2 (0.40) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL233889 0.87 ESR1 (0.43) ESR1KMT2ATSHRTDP1L3MBTL1

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
EP-1209172-B1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO LTD (JP) 2008-07-02 EP disclosed
US-6770586-B2 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD. (JP) 2004-08-03 US disclosed
US-20030130109-A1 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD (JP) 2003-07-10 US disclosed
EP-1209172-A1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION Toho Titanium Co., Ltd. (JP) 2002-05-29 EP disclosed