SCHEMBL7286124

SCHEMBL7286124

CC(C)(C)ONCCCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.43
LMNA P02545 2/20 0.40
SLC22A6 Q4U2R8 2/20 0.40
ADRA1A P35348 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
AKR1B1 P15121 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PRMT1 Q99873 1/20 0.38
ATM Q13315 1/20 0.37
PLA2G4A P47712 1/20 0.37
PPARG P37231 3/20 0.37
PPARD Q03181 3/20 0.37
PPARA Q07869 3/20 0.37
GPR84 Q9NQS5 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
TLR2 O60603 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL7286381 0.94 ADRA1A (0.47) TSHRLMNASLC22A6ADRA1ANFKB1
SCHEMBL6202483 0.92 ADRA1A (0.50) TSHRLMNASLC22A6ADRA1ANFKB1
SCHEMBL7186679 0.92 ADRA1A (0.50) TSHRLMNASLC22A6ADRA1ANFKB1
SCHEMBL7289421 0.92 ADRA1A (0.50) TSHRLMNASLC22A6ADRA1ANFKB1
SCHEMBL20362260 0.77 PRMT1 (0.50) TSHRADRA1APRMT1PLA2G4A
SCHEMBL9614821 0.73 POLB (0.30)
SCHEMBL8959106 0.73
SCHEMBL1758271 0.73 EGLN1 (0.38) TSHRLMNAADRA1AALDH1A1ATM
SCHEMBL24405050 0.72 TSHR (0.45) TSHRLMNASLC22A6AKR1B1ALDH1A1
SCHEMBL238415 0.72 MEN1 (0.64) ADRA1APRMT1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2910573-A1 ANTIBODY-DRUG CONJUGATE PRODUCED BY BINDING THROUGH LINKER HAVING HYDROPHILIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-08-26 EP disclosed
EP-0822931-B1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-03-27 EP disclosed
US-6020334-A Piperazinones, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-01 US disclosed
US-5935963-A (4-GUANIDINOBENZOYLAMINO)ACETYL-3-(3-(4-GUANIDINOBENZOYLAMINO) PROPYL)-2-OXOPIPERAZINE-1-ACETIC ACID OR A SALT; CONTROLLING OR INHIBITING CELL-ADHESION; PLATELET ANTIAGGREGATION WITHOUT LONG HEMORRHAGING; ANTIICHEMIC AGENTS; ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1999-08-10 US disclosed
US-5888531-A ACTIVE MATERIAL STABILIZED WITH DISACCHARIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-30 US disclosed
US-5876756-A SUSTAINED RELEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-02 US disclosed
EP-0822931-A1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION Takeda Chemical Industries, Ltd. (JP) 1998-02-11 EP disclosed
EP-0765660-A2 Microcapsules comprising 2-piperazinone-1-acetic acid compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-02 EP disclosed
EP-0750913-A2 Disaccharide containing freeze-dried preparation for pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-02 EP disclosed
WO-1996033982-A1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO disclosed