SCHEMBL608308

SCHEMBL608308

C=C(C)C(=O)OCCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 2/20 0.47
PAOX Q6QHF9 1/20 0.44
HRH3 Q9Y5N1 5/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
HTR2A P28223 1/20 0.44
SCN1A P35498 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN2A Q99250 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SCN3A Q9NY46 1/20 0.44
LMNA P02545 2/20 0.43
USP2 O75604 2/20 0.43

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
Hydrochloric Acid SCHEMBL21854850 0.98 KDM4E (0.47) GAAKDM4EPKMTSHRPAOX
SCHEMBL23853523 0.95 TSHR (0.50) GAAKDM4EPKMTSHRPAOX
SCHEMBL10707695 0.94 TSHR (0.53) GAAKDM4EPKMTSHRPAOX
Fluoride SCHEMBL7527634 0.90 ATM (0.49) GAAKDM4EALDH1A1LMNATDP1
SCHEMBL67735 0.90 ATM (0.49) GAAKDM4EALDH1A1LMNATDP1
SCHEMBL27970407 0.89 TSHR (0.55) TSHRPAOXHRH3MAPK1ALDH1A1
SCHEMBL6265314 0.88 THRB (0.50) GAAKDM4ETSHRALDH1A1TDP1
SCHEMBL8330198 0.86 TSHR (0.63) TSHRHRH3MAPK1ALDH1A1CYP1A2
SCHEMBL9750470 0.85 TSHR (0.51) GAAKDM4ETSHRHRH3MAPK1
SCHEMBL9292703 0.84 TSHR (0.50) KDM4ETSHRPAOXHRH3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4125813-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASE BY CONTACT LENS MEDIATED DRUG DELIVERY Kiora Pharmaceuticals, Inc. (US) 2023-02-08 EP disclosed
US-20210299039-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASE BY CONTACT LENS MEDIATED DRUG DELIVERY EYEGATE PHARMACEUTICALS, INC. (US) 2021-09-30 US disclosed
WO-2021195016-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASE BY CONTACT LENS MEDIATED DRUG DELIVERY EYEGATE PHARMACEUTICALS, INC. (US) 2021-09-30 WO disclosed
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
US-20150099823-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-04-09 US disclosed
EP-2857446-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2015-04-08 EP disclosed
US-8334339-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO., LTD. (JP) 2012-12-18 US disclosed
US-20120041134-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-4985328-A Metal Complex Charge Control Agents HITACHI CHEMICAL CO., LTD. (JP) 1991-01-15 US disclosed
EP-0360617-A2 Dry toner, dry developer and process for forming images Hitachi Chemical Co., Ltd. (JP) 1990-03-28 EP disclosed