SCHEMBL5679969

SCHEMBL5679969

CCC(C)C1CCCCC1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CDC25A P30304 1/20 0.38
SLC6A12 P48065 3/20 0.35
SLC6A11 P48066 3/20 0.35
SLC6A13 Q9NSD5 3/20 0.35
EPHX1 P07099 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
SLC1A2 P43004 2/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS1 P23219 5/20 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
SCHEMBL10940196 0.84 TSHR (0.36) KDM4ETSHRHSD17B10EPHX1CA1
SCHEMBL11044746 0.80 KMT2A (0.37) KDM4ETSHRHSD17B10KMT2A
SCHEMBL27957329 0.77 SLC6A12 (0.40) CDC25ASLC6A12SLC6A11SLC6A13SLC1A2
SCHEMBL10943270 0.75 MCL1 (0.33) KDM4ETSHRHSD17B10KMT2APTGS1
SCHEMBL29107520 0.74 CA1 (0.39) CA1CA2CA4CYP1A2
SCHEMBL30492005 0.74 CA1 (0.39) CA1CA2CA4CYP1A2
SCHEMBL11198810 0.74 ACE (0.39) KDM4ETSHRHSD17B10EPHX1
SCHEMBL29107811 0.74 CA1 (0.39) CA1CA2CA4CYP1A2
SCHEMBL1925986 0.73 SLC6A12 (0.52) CDC25ASLC6A12SLC6A11SLC6A13AKR1C4
SCHEMBL24742718 0.73 CA1 (0.33) CA1CA2CA4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320412-B1 MICROCAPSULE POWDER COGNIS FRANCE SAS (FR) 2006-01-04 EP disclosed
EP-1064913-B1 Microcaspules COGNIS IP MAN GMBH (DE) 2005-09-14 EP disclosed
EP-1101527-B1 Microcapsules COGNIS IBERIA SL (ES) 2004-09-29 EP disclosed
EP-1064911-B1 Microcapsules COGNIS IBERIA SL (ES) 2004-02-04 EP disclosed
EP-1064912-B1 Microcapsules COGNIS IBERIA SL (ES) 2004-01-28 EP disclosed
EP-1185605-A1 BLEACHING AND DISINFECTING AGENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-03-13 EP disclosed
EP-1157089-A2 FORMULATIONS CONTAINING PEROXIDE WITH COLOURING AGENTS IN MICROCAPSULES Henkel Kommanditgesellschaft auf Aktien (DE) 2001-11-28 EP disclosed
EP-1149146-A2 USE OF PHOSPHONOUS ACID MODIFIED POLYACRYLATES AS SEQUESTERING AGENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2001-10-31 EP disclosed
EP-1101527-A1 Microcapsules Primacare S.A. (ES) 2001-05-23 EP disclosed
WO-2001001927-A1 MICROCAPSULES - I PRIMACARE S.A. (ES) 2001-01-11 WO disclosed
WO-2000052125-A1 FORMULATIONS CONTAINING ACTIVE CHLORINE WITH COLOURING AGENTS IN MICROCAPSULES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-09-08 WO disclosed
WO-2000052120-A2 FORMULATIONS CONTAINING PEROXIDE WITH COLOURING AGENTS IN MICROCAPSULES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-09-08 WO disclosed
WO-2000046328-A2 USE OF PHOSPHONOUS ACID MODIFIED POLYACRYLATES AS SEQUESTERING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-08-10 WO disclosed
WO-2000044865-A1 BLEACHING AND DISINFECTING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-08-03 WO disclosed
WO-2000036073-A1 VISCOELASTIC BLEACHING AND DISINFECTING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-06-22 WO disclosed
WO-2000032733-A1 ACTIVATED CHLORINE-CONTAINING PREPARATIONS WITH STABILIZED OPTICAL BRIGHTENING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-06-08 WO disclosed
WO-2000032730-A1 PEROXY-CONTAINING PREPARATIONS WITH STABILIZED FRAGRANCES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-06-08 WO disclosed
WO-2000032735-A1 ACTIVE CHLORINE-CONTAINING PREPARATIONS WITH STABILIZED FRAGRANCES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-06-08 WO disclosed
WO-2000032729-A1 PEROXIDE-CONTAINING PREPARATIONS WITH STABILIZED OPTICAL BRIGHTENING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-06-08 WO disclosed
US-4457862-A DIKETONE PERFUMES GIVAUDAN CORPORATION (US) 1984-07-03 US disclosed